4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-bromo-4-methylphenyl)-4-oxobutanamide
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-bromo-4-methylphenyl)-4-oxobutanamide
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-bromo-4-methylphenyl)-4-oxobutanamide
Compound characteristics
Compound ID: | D628-0151 |
Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-bromo-4-methylphenyl)-4-oxobutanamide |
Molecular Weight: | 472.4 |
Molecular Formula: | C22 H22 Br N3 O2 S |
Smiles: | Cc1ccc(cc1[Br])NC(CCC(N1CCCC1c1nc2ccccc2s1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3411 |
logD: | 4.3407 |
logSw: | -4.1591 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.018 |
InChI Key: | SXLZWMLIXDCZNH-SFHVURJKSA-N |