4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3660-0262 |
| Compound Name: | 4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 411.33 |
| Molecular Formula: | C17 H13 N7 O6 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)Nc1c(cc(c2c1non2)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8641 |
| logD: | -2.9726 |
| logSw: | -2.4703 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.158 |
| InChI Key: | TXCXXCJTAUEGPW-UHFFFAOYSA-N |