(2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
(2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
(2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | D475-2161 |
| Compound Name: | (2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 479 |
| Molecular Formula: | C25 H23 Cl N4 O2 S |
| Smiles: | [H]C([H])(c1ccccc1[Cl])c1c(C)nn(c1O)c1nc(C)c(C(N2CCc3ccccc3C2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1661 |
| logD: | 3.7564 |
| logSw: | -5.1152 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.524 |
| InChI Key: | XTFKBQGJRUQSGL-UHFFFAOYSA-N |