Chemical ID: 5916570

CCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C3CCCCC3
Chemical ID:
5916570
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-propanamide
SMILES [?]:
CCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C3CCCCC3
InChi [?]:
InChI=1/C24H32N2O2S/c1-3-23(27)26(21-12-8-5-9-13-21)18-24(28)25(16-20-10-6-4-7-11-20)17-22-19(2)14-15-29-22/h4,6-7,10-11,14-15,21H,3,5,8-9,12-13,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,14,27,13,15,26,28,12,16,25,29,20,21,10,17,6,19,11,24,18,3,7,9,5,4,8,22/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCCCONCCONCCCCCCCCCCCCSCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;d18;s19;d20;s18s21;s19;s5;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.9345
Area:616.898
Solvation:-3.48795
Coulombic:-34.8191
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.589
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):4.28

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Descriptor Annotations

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