4-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
4-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0079 |
| Compound Name: | 4-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C22 H24 N4 O3 |
| Smiles: | CN(C1CCCCC1)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8692 |
| logD: | 3.8691 |
| logSw: | -3.9985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.932 |
| InChI Key: | MOFDOPHJWQYOLK-UHFFFAOYSA-N |