Chemical ID: 5916589

CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C3CCCCC3
Chemical ID:
5916589
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C3CCCCC3
InChi [?]:
InChI=1/C27H38N2O2S/c1-3-4-7-16-26(30)29(24-14-10-6-11-15-24)21-27(31)28(19-23-12-8-5-9-13-23)20-25-22(2)17-18-32-25/h5,8-9,12-13,17-18,24H,3-4,6-7,10-11,14-16,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,17,30,4,16,18,29,31,15,19,28,32,5,23,24,13,20,9,22,14,27,21,6,10,12,8,7,11,25/E:(8,9)(10,11)(12,13)(14,15)/rA:32nCCCCCCONCCONCCCCCCCCCCCCSCCCCCCC/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;s22;s8;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H38N2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.8169
Area:690.95
Solvation:-3.45684
Coulombic:-35.815
Bond Count [?]
All:34
Single:27
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:454.669
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.58
LogP (Chemaxon):5.47

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Descriptor Annotations

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