Chemical ID: 4646706

COc1ccc(cc1)C2=NN3C(C2)c4cccc(c4OC3c5ccc(cc5)OCc6ccc(cc6)Cl)OC
Chemical ID:
4646706
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C2=NN3C(C2)c4cccc(c4OC3c5ccc(cc5)OCc6ccc(cc6)Cl)OC
InChi [?]:
InChI=1/C31H27ClN2O4/c1-35-24-14-8-21(9-15-24)27-18-28-26-4-3-5-29(36-2)30(26)38-31(34(28)33-27)22-10-16-25(17-11-22)37-19-20-6-12-23(32)13-7-20/h3-17,28,31H,18-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,38,16,15,17,31,35,5,7,23,27,32,34,4,8,24,26,13,29,30,6,22,33,3,25,14,9,12,18,19,21,36,10,11,2,37,28,20/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:38cCOCCCCCCCNNCCCCCCCCOCCCCCCCOCCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9s12;s12;s14;d15;s16;d17;d14s18;s19;s11s20;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;s30;d31;s32;d33;d30s34;s33;s18;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H27ClN2O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:3
ZAP Information [?]
Total:11.3744
Area:781.027
Solvation:-8.15126
Coulombic:-38.4173
Bond Count [?]
All:43
Single:30
Double:13
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:527.01
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:7.49
LogP (Chemaxon):6.6

Name Annotations

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Descriptor Annotations

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