Chemical ID: 5916610

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C3CCCCC3)C(=O)CC(C)C
Chemical ID:
5916610
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-3-methyl-butanamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C3CCCCC3)C(=O)CC(C)C
InChi [?]:
InChI=1/C26H36N2O2S/c1-20(2)16-25(29)28(23-12-8-5-9-13-23)19-26(30)27(17-22-10-6-4-7-11-22)18-24-21(3)14-15-31-24/h4,6-7,10-11,14-15,20,23H,5,8-9,12-13,16-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:30,31,1,13,23,12,14,22,24,11,15,21,25,3,4,28,9,7,18,29,2,10,20,6,26,16,8,19,27,17,5/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCSCCNCCCCCCCCOCNCCCCCCCOCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s19;d26;s26;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H36N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9202
Area:657.727
Solvation:-3.52294
Coulombic:-35.3022
Bond Count [?]
All:33
Single:26
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:440.642
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.95
LogP (Chemaxon):5.01

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Descriptor Annotations

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