4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide
Compound characteristics
| Compound ID: | D628-0144 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-4-oxobutanamide |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C21 H20 F N3 O2 S |
| Smiles: | C1CC(c2nc3ccccc3s2)N(C1)C(CCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2781 |
| logD: | 3.2779 |
| logSw: | -3.5461 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.018 |
| InChI Key: | DKSMYCDBSHQJKZ-KRWDZBQOSA-N |