Chemical ID: 6319267

Cc1cccc(c1)C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)N4CCC(CC4)C
Chemical ID:
6319267
Name [?]:
3-methyl-N-[3-[(4-methyl-1-piperidyl)carbonyl]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)N4CCC(CC4)C
InChi [?]:
InChI=1/C27H36N2O2S/c1-17-11-13-29(14-12-17)26(31)23-21-10-9-20(27(3,4)5)16-22(21)32-25(23)28-24(30)19-8-6-7-18(2)15-19/h6-8,15,17,20H,9-14,16H2,1-5H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:32,1,21,22,23,4,3,5,18,19,28,30,27,31,7,16,29,2,6,17,13,14,12,8,11,24,20,10,26,9,25,15/E:(3,4,5)(11,12)(13,14)/rA:32cCCCCCCCCONCCCCSCCCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s13s18;s17;s20;s20;s20;s12;d24;s24;s26;s27;s28;s29;s26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H36N2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:14.5164
Area:684.829
Solvation:-2.60436
Coulombic:-41.4367
Bond Count [?]
All:35
Single:28
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:452.653
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.69
LogP (Chemaxon):6.32

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