4-(2,5-dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
4-(2,5-dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5609-1269 |
| Compound Name: | 4-(2,5-dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C27 H27 N5 O3 |
| Smiles: | Cc1ccc(C)c(c1)C1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCN(C)CC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6044 |
| logD: | 4.0363 |
| logSw: | -4.4845 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.485 |
| InChI Key: | DWIWRLWXZBCHFJ-UHFFFAOYSA-N |