N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}cyclohexanecarboxamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}cyclohexanecarboxamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 8009-0252 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}cyclohexanecarboxamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C22 H23 N3 O2 S2 |
| Smiles: | C1CCC(CC1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0513 |
| logD: | 5.0512 |
| logSw: | -4.8174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.481 |
| InChI Key: | PFKCUIFSQPIBEH-UHFFFAOYSA-N |