4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrophenyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrophenyl}phthalazin-1(2H)-one
4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrophenyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8010-5997 |
| Compound Name: | 4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrophenyl}phthalazin-1(2H)-one |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C28 H29 N5 O4 |
| Smiles: | Cc1ccc(cc1C)C1c2ccccc2C(N(c2cc(ccc2N2CCN(CC2)CCO)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6686 |
| logD: | 4.5448 |
| logSw: | -4.341 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.454 |
| InChI Key: | FEXBAQZAPNATFJ-UHFFFAOYSA-N |