N-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
N-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
N-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0472 |
| Compound Name: | N-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C25 H29 N3 O4 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCC(CCC=2N1)C(NCc1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4798 |
| logD: | 3.0579 |
| logSw: | -3.5419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.041 |
| InChI Key: | ZBQQTFBMVZNXBA-GOSISDBHSA-N |