2-(4-methylphenyl)-3-oxo-N-[2-(thiophen-2-yl)ethyl]-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
2-(4-methylphenyl)-3-oxo-N-[2-(thiophen-2-yl)ethyl]-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
2-(4-methylphenyl)-3-oxo-N-[2-(thiophen-2-yl)ethyl]-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0475 |
| Compound Name: | 2-(4-methylphenyl)-3-oxo-N-[2-(thiophen-2-yl)ethyl]-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(C2CCC(CCC=2N1)C(NCCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3624 |
| logD: | 2.9404 |
| logSw: | -3.3552 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.813 |
| InChI Key: | ISDRDZZSRNOIKJ-INIZCTEOSA-N |