4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one
4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5609-1267 |
| Compound Name: | 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 455.52 |
| Molecular Formula: | C26 H25 N5 O3 |
| Smiles: | Cc1ccc(cc1C)C1c2ccccc2C(N(c2cc(ccc2[N+]([O-])=O)N2CCNCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3074 |
| logD: | 2.9812 |
| logSw: | -4.2755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.969 |
| InChI Key: | FTNQRMOHYFMJRH-UHFFFAOYSA-N |