ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
Compound characteristics
| Compound ID: | C612-1245 |
| Compound Name: | ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C22 H21 Cl N4 O4 |
| Smiles: | CCOC(c1c(c2ccc(cc2)[Cl])nn2CN(Cc3ccc4c(c3)OCO4)CNc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9463 |
| logD: | 3.9324 |
| logSw: | -4.7463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.776 |
| InChI Key: | UQELGCJJZUVQEG-UHFFFAOYSA-N |