4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-bromophenyl)-4-oxobutanamide
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-bromophenyl)-4-oxobutanamide
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-bromophenyl)-4-oxobutanamide
Compound characteristics
| Compound ID: | D628-0150 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-bromophenyl)-4-oxobutanamide |
| Molecular Weight: | 458.38 |
| Molecular Formula: | C21 H20 Br N3 O2 S |
| Smiles: | C1CC(c2nc3ccccc3s2)N(C1)C(CCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.083 |
| logD: | 4.0827 |
| logSw: | -4.1465 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.018 |
| InChI Key: | USBIRPUMYRPYLT-KRWDZBQOSA-N |