5-(6-methyl-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-methyl-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
5-(6-methyl-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2372-2984 |
| Compound Name: | 5-(6-methyl-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 535.53 |
| Molecular Formula: | C29 H17 N3 O6 S |
| Smiles: | Cc1ccc2c(c1)C(=O)OC(c1ccc3C(N(C(c3c1)=O)c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 6.0073 |
| logD: | 6.0073 |
| logSw: | -5.4706 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.937 |
| InChI Key: | WEISMYQKKAOICY-UHFFFAOYSA-N |