6-chloro-7-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0611 |
| Compound Name: | 6-chloro-7-[3-oxo-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 460.94 |
| Molecular Formula: | C22 H21 Cl N2 O5 S |
| Smiles: | C1CN(CC=C1c1ccccc1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5788 |
| logD: | 2.5574 |
| logSw: | -3.4799 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.394 |
| InChI Key: | PQVXBKHYKQVEHC-UHFFFAOYSA-N |