Chemical ID: 5916112

CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C3CC3
Chemical ID:
5916112
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclopropyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C3CC3
InChi [?]:
InChI=1/C24H32N2O2S/c1-3-4-6-11-23(27)26(21-13-14-21)18-24(28)25(16-20-9-7-5-8-10-20)17-22-15-12-19(2)29-22/h5,7-10,12,15,21H,3-4,6,11,13-14,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,17,4,16,18,15,19,5,23,28,29,22,13,20,9,24,14,27,21,6,10,12,8,7,11,25/E:(7,8)(9,10)(13,14)/rA:29nCCCCCCONCCONCCCCCCCCCCCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s22;d23;s21s24;s24;s8;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.6487
Area:662.613
Solvation:-3.91665
Coulombic:-34.7414
Bond Count [?]
All:31
Single:24
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:412.589
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.0
LogP (Chemaxon):3.81

Name Annotations

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Descriptor Annotations

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