Chemical ID: 5997595

CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc(cc4OC)OC
Chemical ID:
5997595
Name [?]:
N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-isopropyl-2,4-dimethoxy-benzamide
SMILES [?]:
CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc(cc4OC)OC
InChi [?]:
InChI=1/C27H31ClN4O5/c1-17(2)32(27(34)21-12-11-20(35-3)15-23(21)36-4)16-24(33)31-13-6-5-10-22(31)26-29-25(30-37-26)18-8-7-9-19(28)14-18/h7-9,11-12,14-15,17,22H,5-6,10,13,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,37,35,11,10,21,20,22,12,30,29,9,24,32,5,2,19,23,31,28,13,33,6,16,14,26,25,15,17,8,4,7,27,36,34,18/E:(1,2)/rA:37cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCOCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;s28;d29;s30;d31;d28s32;s33;s34;s31;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31ClN4O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:10.244
Area:657.367
Solvation:-6.19014
Coulombic:-60.8953
Bond Count [?]
All:40
Single:30
Double:10
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:527.012
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.03
LogP (Chemaxon):3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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