2-(4-methylphenyl)-3-oxo-N-[(thiophen-3-yl)methyl]-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
2-(4-methylphenyl)-3-oxo-N-[(thiophen-3-yl)methyl]-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
2-(4-methylphenyl)-3-oxo-N-[(thiophen-3-yl)methyl]-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0483 |
| Compound Name: | 2-(4-methylphenyl)-3-oxo-N-[(thiophen-3-yl)methyl]-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(C2CCC(CCC=2N1)C(NCc1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0567 |
| logD: | 2.6348 |
| logSw: | -3.2506 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.971 |
| InChI Key: | XGBUGMUDQKMUCH-INIZCTEOSA-N |