ethyl 7-(4-chlorophenyl)-3-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-chlorophenyl)-3-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
ethyl 7-(4-chlorophenyl)-3-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
Compound characteristics
| Compound ID: | C612-1268 |
| Compound Name: | ethyl 7-(4-chlorophenyl)-3-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C19 H19 Cl N4 O2 S |
| Smiles: | CCOC(c1c(c2ccc(cc2)[Cl])nn2CN(Cc3cccs3)CNc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9038 |
| logD: | 3.9033 |
| logSw: | -4.8125 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.679 |
| InChI Key: | VGPLEGCADUJIKR-UHFFFAOYSA-N |