4-{4-[(3-hydroxypropyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(3-hydroxypropyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
4-{4-[(3-hydroxypropyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0065 |
| Compound Name: | 4-{4-[(3-hydroxypropyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C18 H18 N4 O4 |
| Smiles: | CN1C(c2ccccc2C(c2ccc(c(c2)[N+]([O-])=O)NCCCO)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8564 |
| logD: | 1.8564 |
| logSw: | -2.7686 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.532 |
| InChI Key: | CXZQQGAELGAKMH-UHFFFAOYSA-N |