4-(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)phthalazin-1(2H)-one
4-(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0055 |
| Compound Name: | 4-(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C19 H21 N5 O3 |
| Smiles: | CN(C)CCCNc1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4274 |
| logD: | 0.6401 |
| logSw: | -3.1035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.954 |
| InChI Key: | CKNFJVDAYVBJGC-UHFFFAOYSA-N |