N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0136 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C27 H32 N4 O2 |
| Smiles: | C(CNC(C1CCC2=C(CC1)NN(C2=O)c1ccccc1)=O)CN1CCc2ccccc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1768 |
| logD: | 3.1768 |
| logSw: | -3.0508 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.439 |
| InChI Key: | VOHMWXFMBGNVBD-OAQYLSRUSA-N |