6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-methylphenyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-methylphenyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-methylphenyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
Compound characteristics
| Compound ID: | SD50-0561 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-methylphenyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C25 H27 N3 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCC(CCC=2N1)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0242 |
| logD: | 3.6023 |
| logSw: | -3.9363 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.85 |
| InChI Key: | UUGNXRIPDUQOFD-LJQANCHMSA-N |