2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6434-3809 |
| Compound Name: | 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 407.43 |
| Molecular Formula: | C21 H21 N5 O4 |
| Smiles: | CN1CCN(CC1)C(CN1C(c2ccccc2C(c2cccc(c2)[N+]([O-])=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4147 |
| logD: | 1.2841 |
| logSw: | -2.3931 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.446 |
| InChI Key: | ROHZGOWWHJTBGE-UHFFFAOYSA-N |