ChemDB: Chemical Search
Download
Chemical ID: 6567083
Chemical ID:
6567083
Name [?]:
2-benzothiazol-2-ylsulfanyl-N-[4-(4-cyclohexylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc2c(c1)nc(s2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)C5CCCCC5
InChi [?]:
InChI=1/C24H23N3OS3/c28-22(15-30-24-26-19-8-4-5-9-21(19)31-24)27-23-25-20(14-29-23)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7,15H2,(H,25,27,28)
InChi Info:
AuxInfo=1/1/N:29,28,30,1,2,27,31,6,3,22,24,21,25,18,11,26,23,20,5,17,4,12,15,8,16,7,14,13,19,10,9/E:(2,3)(6,7)(10,11)(12,13)/rA:31nCCCCCCNCSSCCONCNCCSCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3OS3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.3298 |
Area: | 707.156 |
Solvation: | -3.34906 |
Coulombic: | -35.2597 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 465.657 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.39 |
LogP (Chemaxon): | 7.72 |
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 |
---|