4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4061-0039 |
| Compound Name: | 4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 437.46 |
| Molecular Formula: | C21 H23 N7 O4 |
| Smiles: | CCN(CC)c1cc(c(c2c1non2)[N+]([O-])=O)NC1=C(C)N(C)N(C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3639 |
| logD: | 0.4682 |
| logSw: | -3.8938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.91 |
| InChI Key: | MJJLPZYYONNMDS-UHFFFAOYSA-N |