6-nitro-3-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
6-nitro-3-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-4-phenylquinolin-2(1H)-one
6-nitro-3-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 5742-0490 |
| Compound Name: | 6-nitro-3-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | CCCC1=CC(NC(=N1)SC1=C(c2ccccc2)c2cc(ccc2NC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2394 |
| logD: | 2.9026 |
| logSw: | -4.3048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.895 |
| InChI Key: | OITVAVLZCVRBAK-UHFFFAOYSA-N |