4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-bromo-3-methylphenyl)-4-oxobutanamide
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-bromo-3-methylphenyl)-4-oxobutanamide
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-bromo-3-methylphenyl)-4-oxobutanamide
Compound characteristics
| Compound ID: | D628-0169 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(4-bromo-3-methylphenyl)-4-oxobutanamide |
| Molecular Weight: | 472.4 |
| Molecular Formula: | C22 H22 Br N3 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCC(N1CCCC1c1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4236 |
| logD: | 4.4235 |
| logSw: | -4.1928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.018 |
| InChI Key: | DLNNUKMHORTQOZ-SFHVURJKSA-N |