5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2372-3507 |
| Compound Name: | 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 581.56 |
| Molecular Formula: | C30 H19 N3 O8 S |
| Smiles: | COc1cc2C(=O)OC(c3ccc4C(N(C(c4c3)=O)c3ccc(cc3)Sc3ccc(cc3)[N+]([O-])=O)=O)=Nc2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.629 |
| logD: | 5.629 |
| logSw: | -5.5538 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 107.198 |
| InChI Key: | CXOYRIYHBOBHGP-UHFFFAOYSA-N |