Chemical ID: 5916697

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3ccccc3
Chemical ID:
5916697
Name [?]:
N-butyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]benzamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C28H34N2O4S/c1-4-5-16-30(28(32)23-10-7-6-8-11-23)21-27(31)29(20-24-12-9-18-35-24)17-15-22-13-14-25(33-2)26(19-22)34-3/h6-14,18-19H,4-5,15-17,20-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,19,2,3,33,32,34,25,31,35,24,13,14,11,4,10,26,17,22,6,12,30,23,15,16,7,28,9,5,8,29,20,18,27/E:(7,8)(10,11)/rA:35nCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s9;s22;d23;s24;d25;s23s26;s5;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34N2O4S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.9084
Area:755.405
Solvation:-6.97678
Coulombic:-51.0366
Bond Count [?]
All:37
Single:27
Double:10
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:494.647
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.43
LogP (Chemaxon):4.28

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Descriptor Annotations

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