4-{[3,5-di(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[3,5-di(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[3,5-di(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1431-1865 |
| Compound Name: | 4-{[3,5-di(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | CCC(C)C1=CC(C=C(C(C)CC)C1=O)=NC1=C(C)N(C)N(C1=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8719 |
| logD: | 4.8719 |
| logSw: | -4.5149 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.164 |
| InChI Key: | IBKCFAGOOSRAMP-UHFFFAOYSA-N |