N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | D336-1980 |
| Compound Name: | N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C25 H23 N3 O2 S2 |
| Smiles: | Cc1ccccc1NC(CSc1nc2ccc(cc2s1)NC(CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3105 |
| logD: | 5.3104 |
| logSw: | -5.2731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.378 |
| InChI Key: | DOFOILQGVSXXPY-UHFFFAOYSA-N |