4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-N-(2-phenylethyl)butanamide
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | D628-0092 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | C1CC(c2nc3ccccc3s2)N(C1)C(CCC(NCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.724 |
| logD: | 2.724 |
| logSw: | -3.0901 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.181 |
| InChI Key: | VPHSGUAIYJVOPZ-IBGZPJMESA-N |