Chemical ID: 5916790

CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C(C)(C)CCl
Chemical ID:
5916790
Name [?]:
3-chloro-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-(3-ethoxypropyl)-2,2-dimethyl-propanamide
SMILES [?]:
CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C27H39ClN2O5S/c1-6-35-15-8-13-30(26(32)27(2,3)20-28)19-25(31)29(18-22-9-7-16-36-22)14-12-21-10-11-23(33-4)24(17-21)34-5/h7,9-11,16-17H,6,8,12-15,18-20H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,34,23,21,2,27,5,26,15,16,13,6,12,4,28,19,24,8,35,14,25,17,18,9,30,32,36,11,7,10,31,22,20,3,29/E:(2,3)/rA:36nCCOCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s11;s24;d25;s26;d27;s25s28;s7;d30;s30;s32;s32;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H39ClN2O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.4787
Area:806.64
Solvation:-8.68729
Coulombic:-55.5811
Bond Count [?]
All:37
Single:30
Double:7
Rotors:18
Chiral:0
Rigid Segments:13
Chemical Properties
Molecular Weight:539.128
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.05
LogP (Chemaxon):3.57

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Descriptor Annotations

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