4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-N-phenylbutanamide
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-N-phenylbutanamide
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-N-phenylbutanamide
Compound characteristics
| Compound ID: | D628-0133 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-N-phenylbutanamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | C1CC(c2nc3ccccc3s2)N(C1)C(CCC(Nc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0573 |
| logD: | 3.0573 |
| logSw: | -3.4371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.018 |
| InChI Key: | VAPWTMWZHZWSRA-KRWDZBQOSA-N |