4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0051 |
| Compound Name: | 4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C26 H24 N4 O3 |
| Smiles: | C1CN(CCC1Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3567 |
| logD: | 5.3565 |
| logSw: | -5.8396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.319 |
| InChI Key: | FFMMNBBLSAMRTH-UHFFFAOYSA-N |