2-{5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
2-{5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
2-{5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5510-1159 |
| Compound Name: | 2-{5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one |
| Molecular Weight: | 503.94 |
| Molecular Formula: | C26 H22 Cl N5 O4 |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(c2ccc(cc2)[Cl])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0573 |
| logD: | 4.0573 |
| logSw: | -4.4842 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.909 |
| InChI Key: | SDNLZBNHLSWNFC-UHFFFAOYSA-N |