ChemDB: Chemical Search
Download
Chemical ID: 6319297
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|