Chemical ID: 6319297

CC(C)(C)C1CCc2c(sc(c2C(=O)N3CCC(CC3)Cc4ccccc4)NC(=O)c5ccccc5)C1
Chemical ID:
6319297
Name [?]:
N-[3-[(4-benzyl-1-piperidyl)carbonyl]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide
SMILES [?]:
CC(C)(C)C1CCc2c(sc(c2C(=O)N3CCC(CC3)Cc4ccccc4)NC(=O)c5ccccc5)C1
InChi [?]:
InChI=1/C32H38N2O2S/c1-32(2,3)25-14-15-26-27(21-25)37-30(33-29(35)24-12-8-5-9-13-24)28(26)31(36)34-18-16-23(17-19-34)20-22-10-6-4-7-11-22/h4-13,23,25H,14-21H2,1-3H3,(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,34,24,26,33,35,23,27,32,36,6,7,17,19,16,20,21,37,22,18,31,5,8,9,12,29,11,13,2,28,15,30,14,10/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:37cCCCCCCCCCSCCCONCCCCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s13;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;s11;s28;d29;s29;s31;d32;s33;d34;d31s35;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H38N2O2S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:16.1482
Area:766.406
Solvation:-3.01192
Coulombic:-43.3055
Bond Count [?]
All:41
Single:31
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:514.722
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.7
LogP (Chemaxon):7.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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