N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | 8008-5539 |
| Compound Name: | N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 496.05 |
| Molecular Formula: | C25 H22 Cl N3 O2 S2 |
| Smiles: | Cc1ccc(cc1NC(CSc1nc2ccc(cc2s1)NC(CCc1ccccc1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9728 |
| logD: | 5.9726 |
| logSw: | -5.9829 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.378 |
| InChI Key: | HMMNZIMDDYFFRF-UHFFFAOYSA-N |