N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D336-0219 |
| Compound Name: | N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C18 H17 N3 O2 S3 |
| Smiles: | C1CCN(C1)C(CSc1nc2ccc(cc2s1)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0961 |
| logD: | 4.096 |
| logSw: | -4.104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.916 |
| InChI Key: | DZWJWMVTWKYUTD-UHFFFAOYSA-N |