4-methyl-2-{5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
4-methyl-2-{5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
4-methyl-2-{5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5875-2465 |
| Compound Name: | 4-methyl-2-{5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C23 H25 N5 O4 |
| Smiles: | CC(C)C(N1CCN(CC1)c1ccc(c(c1)N1C(c2ccccc2C(C)=N1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1138 |
| logD: | 3.1137 |
| logSw: | -3.6147 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.181 |
| InChI Key: | SEEPBBDVBCOQCE-UHFFFAOYSA-N |