4-(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)-2-methylphthalazin-1(2H)-one
Chemical Structure Depiction of
4-(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)-2-methylphthalazin-1(2H)-one
4-(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)-2-methylphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0075 |
| Compound Name: | 4-(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)-2-methylphthalazin-1(2H)-one |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | CN(C)CCCNc1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4267 |
| logD: | 0.6393 |
| logSw: | -3.0644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.742 |
| InChI Key: | OFTZXYDOJDKCAC-UHFFFAOYSA-N |