Chemical ID: 5914891

CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)CCC3CCCC3
Chemical ID:
5914891
Name [?]:
3-cyclopentyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C29H42N2O4S/c1-5-22(2)31(28(32)15-13-23-9-6-7-10-23)21-29(33)30(20-25-11-8-18-36-25)17-16-24-12-14-26(34-3)27(19-24)35-4/h8,11-12,14,18-19,22-23H,5-7,9-10,13,15-17,20-21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,21,19,2,34,35,25,33,36,24,13,31,14,30,11,10,26,17,22,6,3,32,12,23,15,16,28,7,9,5,29,8,20,18,27/E:(6,7)(9,10)/rA:36cCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCCCCC/rB:s1;s2;s3;s3;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;s31;s32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H42N2O4S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.0918
Area:793.386
Solvation:-6.74284
Coulombic:-48.9634
Bond Count [?]
All:38
Single:31
Double:7
Rotors:16
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:514.721
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.31
LogP (Chemaxon):4.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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