{4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-yl]phenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
{4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-yl]phenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
{4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-yl]phenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | V014-7571 |
| Compound Name: | {4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-yl]phenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C27 H23 N3 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc(cc1)c1cc(c2cccc3c2OCCO3)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4631 |
| logD: | 4.4631 |
| logSw: | -4.3704 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.274 |
| InChI Key: | MVVJVQCYAWEPFI-UHFFFAOYSA-N |