Chemical ID: 7964848

CC(=O)N1C(OC(=N1)c2cc(nc(c2)c3ccc(cc3)Cl)c4ccc(cc4)OC)c5ccc(cc5)OC
Chemical ID:
7964848
Name [?]:
1-[5-[2-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-pyridyl]-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILES [?]:
CC(=O)N1C(OC(=N1)c2cc(nc(c2)c3ccc(cc3)Cl)c4ccc(cc4)OC)c5ccc(cc5)OC
InChi [?]:
InChI=1/C29H24ClN3O4/c1-18(34)33-29(21-8-14-25(36-3)15-9-21)37-28(32-33)22-16-26(19-4-10-23(30)11-5-19)31-27(17-22)20-6-12-24(35-2)13-7-20/h4-17,29H,1-3H3/t29-/m1/s1
InChi Info:
AuxInfo=1/0/N:1,29,37,16,20,23,27,31,35,17,19,24,26,32,34,14,10,2,15,22,30,9,18,25,33,13,11,7,5,21,12,8,4,3,28,36,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/it:im/rA:37cCCONCOCNCCCNCCCCCCCCClCCCCCCOCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s4d7;s7;s9;d10;s11;d12;d9s13;s13;s15;d16;s17;d18;d15s19;s18;s11;s22;d23;s24;d25;d22s26;s25;s28;s5;s30;d31;s32;d33;d30s34;s33;s36;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;1.0609,-.5964,-.0113;-1.1558,-.6938,.0094;-1.3233,-2.1576,.0091;-2.7454,-2.3496,.0187;-3.326,-1.1278,.024;-2.457,-.1703,.0251;-4.7883,-.9117,.0339;-5.3221,.3813,.0331;-6.704,.543,.0427;-7.5111,-.5097,.0529;-7.0426,-1.7504,.054;-5.6732,-1.9951,.0385;-7.9906,-2.8914,.0656;-7.5101,-4.1996,.0726;-8.3959,-5.2575,.0834;-9.7601,-5.0211,.0867;-10.2424,-3.7233,.0793;-9.3647,-2.6586,.0753;-10.8694,-6.3563,.0997;-7.2816,1.9089,.0419;-6.4425,3.0221,.0259;-6.9825,4.2907,.0248;-8.3606,4.4602,.0396;-9.199,3.3533,.0561;-8.6649,2.0822,.0515;-8.8898,5.7113,.0385;-10.3105,5.5589,.0556;-.7015,-2.7598,1.2427;-.656,-2.0326,2.4178;-.0861,-2.5822,3.5499;.4405,-3.865,3.5071;.3932,-4.5927,2.3268;-.1824,-4.0405,1.1989;1.002,-4.4077,4.6193;1.4456,-5.7179,4.2607;

Chemical Details

Atom Count
Formula:C6H4ClNO
All Atoms:61
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.6884
Area:781.296
Solvation:-5.84405
Coulombic:-47.6128
Bond Count [?]
All:65
Single:51
Double:14
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:513.971
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:7.41
LogP (Chemaxon):6.34

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Descriptor Annotations

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