4-methyl-2-{5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
4-methyl-2-{5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
4-methyl-2-{5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5609-1206 |
| Compound Name: | 4-methyl-2-{5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C27 H25 N5 O4 |
| Smiles: | CC1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(c2cccc(C)c2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7496 |
| logD: | 3.7495 |
| logSw: | -4.0266 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.909 |
| InChI Key: | SSKJGDNLFUOSAE-UHFFFAOYSA-N |