2-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
2-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
2-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0076 |
| Compound Name: | 2-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CC1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7154 |
| logD: | 3.7154 |
| logSw: | -4.0159 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.378 |
| InChI Key: | GFNLYQHGXVIGSV-UHFFFAOYSA-N |