N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | D336-0276 |
| Compound Name: | N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C22 H23 N3 O2 S2 |
| Smiles: | C1CCN(C1)C(CSc1nc2ccc(cc2s1)NC(CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5595 |
| logD: | 4.5595 |
| logSw: | -4.4324 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.685 |
| InChI Key: | VWKKXFMYZDFYDQ-UHFFFAOYSA-N |