3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 5236-0097 |
| Compound Name: | 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C20 H14 N4 O4 S |
| Smiles: | CC1=CC(NC(=N1)SC1=C(c2ccccc2)c2cc(ccc2NC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1779 |
| logD: | 1.8213 |
| logSw: | -3.7502 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.287 |
| InChI Key: | KNWRBHPCWWGTLG-UHFFFAOYSA-N |