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 |