1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2953-0033 |
| Compound Name: | 1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 352.35 |
| Molecular Formula: | C18 H16 N4 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC1=CC=C(C=CC1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4891 |
| logD: | 0.1936 |
| logSw: | -1.7168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.91 |
| InChI Key: | WGGBTXHCNOOHBI-UHFFFAOYSA-N |