4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0047 |
| Compound Name: | 4-{4-[(2-methoxyethyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one |
| Molecular Weight: | 340.34 |
| Molecular Formula: | C17 H16 N4 O4 |
| Smiles: | COCCNc1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5782 |
| logD: | 2.578 |
| logSw: | -3.3038 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.431 |
| InChI Key: | POIOVSVYUYBYOO-UHFFFAOYSA-N |