N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide
N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | D336-2351 |
| Compound Name: | N-(2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide |
| Molecular Weight: | 467.99 |
| Molecular Formula: | C23 H18 Cl N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1577 |
| logD: | 6.157 |
| logSw: | -6.2552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | CDINYQHSQYHTIJ-UHFFFAOYSA-N |