4-chloro-N-(2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-chloro-N-(2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-chloro-N-(2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-2063 |
| Compound Name: | 4-chloro-N-(2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 467.99 |
| Molecular Formula: | C23 H18 Cl N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1577 |
| logD: | 6.1525 |
| logSw: | -6.2552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | CONFEAGVGKDTAI-UHFFFAOYSA-N |