ChemDB: Chemical Search
Download
Chemical ID: 6319345
Chemical ID:
6319345
Name [?]:
3-methyl-N-[3-[(2-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)N4CCCCC4C
InChi [?]:
InChI=1/C27H36N2O2S/c1-17-9-8-11-19(15-17)24(30)28-25-23(26(31)29-14-7-6-10-18(29)2)21-13-12-20(27(3,4)5)16-22(21)32-25/h8-9,11,15,18,20H,6-7,10,12-14,16H2,1-5H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,32,21,22,23,29,28,4,3,30,5,18,19,27,7,16,2,31,6,17,13,14,12,8,11,24,20,10,26,9,25,15/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H36N2O2S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 14.4016 |
Area: | 674.582 |
Solvation: | -2.46296 |
Coulombic: | -41.2997 |
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: | 6.64 |
LogP (Chemaxon): | 6.41 |
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 |
---|