4-benzoyl-2-heptyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-benzoyl-2-heptyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-benzoyl-2-heptyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-8497 |
| Compound Name: | 4-benzoyl-2-heptyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 300.4 |
| Molecular Formula: | C18 H24 N2 O2 |
| Smiles: | CCCCCCCN1C(C(C(C)=N1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1697 |
| logD: | 2.0238 |
| logSw: | -3.9957 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.994 |
| InChI Key: | YAPYNCGECVXNED-MRXNPFEDSA-N |