6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one
Compound characteristics
| Compound ID: | SD50-0147 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-phenyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3(2H)-one |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C24 H25 N3 O2 |
| Smiles: | C1CC2=C(CCC1C(N1CCc3ccccc3C1)=O)NN(C2=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4793 |
| logD: | 3.1169 |
| logSw: | -3.2957 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.85 |
| InChI Key: | YOXGXJVRNWIJRO-GOSISDBHSA-N |