2-heptyl-5-methyl-4-(3-nitrobenzoyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-heptyl-5-methyl-4-(3-nitrobenzoyl)-2,4-dihydro-3H-pyrazol-3-one
2-heptyl-5-methyl-4-(3-nitrobenzoyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8013-4692 |
| Compound Name: | 2-heptyl-5-methyl-4-(3-nitrobenzoyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C18 H23 N3 O4 |
| Smiles: | CCCCCCCN1C(C(C(C)=N1)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2947 |
| logD: | 2.1487 |
| logSw: | -4.3125 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.376 |
| InChI Key: | LYBTYTIFUTXESL-MRXNPFEDSA-N |