N-(2-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(pyrrolidine-1-carbonyl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(pyrrolidine-1-carbonyl)benzamide
N-(2-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(pyrrolidine-1-carbonyl)benzamide
Compound characteristics
| Compound ID: | 3448-3237 |
| Compound Name: | N-(2-{[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(pyrrolidine-1-carbonyl)benzamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C29 H28 N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1C(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4129 |
| logD: | 5.4127 |
| logSw: | -5.2585 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.605 |
| InChI Key: | RADROYIAZMZMBQ-UHFFFAOYSA-N |