N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | D336-2761 |
| Compound Name: | N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C26 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2ccc(cc2s1)NC(CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9983 |
| logD: | 5.9982 |
| logSw: | -5.4149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.378 |
| InChI Key: | YQZXGBIIKJQPHL-UHFFFAOYSA-N |