4-{4-[(1-hydroxybutan-2-yl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(1-hydroxybutan-2-yl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
4-{4-[(1-hydroxybutan-2-yl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0062 |
| Compound Name: | 4-{4-[(1-hydroxybutan-2-yl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C19 H20 N4 O4 |
| Smiles: | CCC(CO)Nc1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(N(C)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9593 |
| logD: | 2.9593 |
| logSw: | -3.6159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.059 |
| InChI Key: | ASOVKTAKHFUBAA-ZDUSSCGKSA-N |