2-{5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
2-{5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5609-1202 |
| Compound Name: | 2-{5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one |
| Molecular Weight: | 487.49 |
| Molecular Formula: | C26 H22 F N5 O4 |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(c2ccc(cc2)F)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4917 |
| logD: | 3.4916 |
| logSw: | -3.8553 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.909 |
| InChI Key: | PWCMHFPINJEKDO-UHFFFAOYSA-N |