3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1,3-benzothiazol-2(3H)-one
3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F943-0117 |
| Compound Name: | 3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C24 H25 N3 O4 S2 |
| Smiles: | C1CCN(C1)C(CN1C(=O)Sc2cc(ccc12)S(N1CCC(=CC1)c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1274 |
| logD: | 4.1274 |
| logSw: | -4.2452 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.009 |
| InChI Key: | PKMNECIMKWJVNH-UHFFFAOYSA-N |