4-{4-[butyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[butyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
4-{4-[butyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0078 |
| Compound Name: | 4-{4-[butyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C20 H22 N4 O3 |
| Smiles: | CCCCN(C)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3648 |
| logD: | 3.3648 |
| logSw: | -3.8338 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.13 |
| InChI Key: | DJFCNNRBWKRWFA-UHFFFAOYSA-N |