Chemical ID: 6319333

Cc1cccc(c1)C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)N4CCCC(C4)C
Chemical ID:
6319333
Name [?]:
3-methyl-N-[3-[(3-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)N4CCCC(C4)C
InChi [?]:
InChI=1/C27H36N2O2S/c1-17-8-6-10-19(14-17)24(30)28-25-23(26(31)29-13-7-9-18(2)16-29)21-12-11-20(27(3,4)5)15-22(21)32-25/h6,8,10,14,18,20H,7,9,11-13,15-16H2,1-5H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,32,21,22,23,4,28,3,29,5,18,19,27,7,16,31,2,30,6,17,13,14,12,8,11,24,20,10,26,9,25,15/E:(3,4,5)/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;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H36N2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:14.526
Area:684.903
Solvation:-2.59655
Coulombic:-41.5077
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:6.48
LogP (Chemaxon):6.4

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