Chemical ID: 5915273

CCCCCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccccc2)Cc3cccs3)C(C)C
Chemical ID:
5915273
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-isopropyl-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccccc2)Cc3cccs3)C(C)C
InChi [?]:
InChI=1/C29H36N2O2S/c1-4-5-7-11-24-15-17-26(18-16-24)29(33)31(23(2)3)22-28(32)30(21-27-14-10-19-34-27)20-25-12-8-6-9-13-25/h6,8-10,12-19,23H,4-5,7,11,20-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,34,2,3,23,4,22,24,29,5,21,25,28,7,11,8,10,30,19,26,15,32,6,20,9,27,16,12,18,14,17,13,31/E:(2,3)(8,9)(12,13)(15,16)(17,18)/rA:34nCCCCCCCCCCCCONCCONCCCCCCCCCCCCSCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;d27;s28;d29;s27s30;s14;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H36N2O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.8967
Area:689.523
Solvation:-3.34139
Coulombic:-38.96
Bond Count [?]
All:36
Single:26
Double:10
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:476.674
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.86
LogP (Chemaxon):6.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue