4-{4-[butyl(methyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[butyl(methyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
4-{4-[butyl(methyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0058 |
| Compound Name: | 4-{4-[butyl(methyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C19 H20 N4 O3 |
| Smiles: | CCCCN(C)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3656 |
| logD: | 3.3654 |
| logSw: | -3.8936 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.342 |
| InChI Key: | ADLOCHMQVSQXJP-UHFFFAOYSA-N |