2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(2,5-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(2,5-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(2,5-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V014-7553 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(2,5-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C28 H29 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)C1CC(c2ccccc2)=NN1C(CN1CCc2ccccc2C1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0826 |
| logD: | 5.0725 |
| logSw: | -4.9739 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.427 |
| InChI Key: | YLSMMDQWVZCSBI-SANMLTNESA-N |