4-[(cycloheptylimino)methyl]-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(cycloheptylimino)methyl]-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
4-[(cycloheptylimino)methyl]-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-0624 |
| Compound Name: | 4-[(cycloheptylimino)methyl]-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | CC1=C(/C=N/C2CCCCCC2)C(N(c2ccc(cc2)[N+]([O-])=O)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6478 |
| logD: | 1.9914 |
| logSw: | -3.7373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.777 |
| InChI Key: | CNABHDIBIGNFMT-UHFFFAOYSA-N |