methyl 3-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
Chemical Structure Depiction of
methyl 3-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
methyl 3-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
Compound characteristics
| Compound ID: | C612-1192 |
| Compound Name: | methyl 3-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate |
| Molecular Weight: | 306.75 |
| Molecular Formula: | C14 H15 Cl N4 O2 |
| Smiles: | COC(c1cnn2CN(Cc3ccccc3[Cl])CNc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4978 |
| logD: | 2.4968 |
| logSw: | -3.3105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.806 |
| InChI Key: | YRYDXEXDAMJDFY-UHFFFAOYSA-N |