2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
2-{5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Compound characteristics
Compound ID: | 5510-1178 |
Compound Name: | 2-{5-[4-(3-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(c2cccc(c2)F)=O)N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.5013 |
logD: | 3.5012 |
logSw: | -3.9221 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 77.909 |
InChI Key: | QEBIVEVITPSMDZ-UHFFFAOYSA-N |