3-[(1,3-benzoxazol-2-yl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
3-[(1,3-benzoxazol-2-yl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
3-[(1,3-benzoxazol-2-yl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 5236-0096 |
| Compound Name: | 3-[(1,3-benzoxazol-2-yl)sulfanyl]-6-nitro-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C22 H13 N3 O4 S |
| Smiles: | c1ccc(cc1)C1=C(C(Nc2ccc(cc12)[N+]([O-])=O)=O)Sc1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.312 |
| logD: | 5.3086 |
| logSw: | -5.5917 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.618 |
| InChI Key: | DWNVOPOAKKGRBY-UHFFFAOYSA-N |