4-bromo-N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-bromo-N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8008-9680 |
| Compound Name: | 4-bromo-N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 546.89 |
| Molecular Formula: | C23 H17 Br Cl N3 O2 S2 |
| Smiles: | Cc1ccc(cc1NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4307 |
| logD: | 6.4254 |
| logSw: | -6.3187 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.591 |
| InChI Key: | DQKFTJJUWWNTGW-UHFFFAOYSA-N |