N-(3-methylbutyl)-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
N-(3-methylbutyl)-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0491 |
| Compound Name: | N-(3-methylbutyl)-2-(4-methylphenyl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C21 H29 N3 O2 |
| Smiles: | CC(C)CCNC(C1CCC2=C(CC1)NN(C2=O)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4962 |
| logD: | 3.0743 |
| logSw: | -3.4392 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.066 |
| InChI Key: | BYYOVLIOVMWEEB-MRXNPFEDSA-N |