7-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
7-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
Compound characteristics
| Compound ID: | D718-1563 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one |
| Molecular Weight: | 431.84 |
| Molecular Formula: | C22 H14 Cl N5 O3 |
| Smiles: | Cc1c(c2ccc(cc2)[Cl])c2N=NC3=C(C=CN(C3=O)c3ccc4c(c3)OCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4481 |
| logD: | 4.4481 |
| logSw: | -4.9201 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.42 |
| InChI Key: | KWNKYZSTZSTJSG-UHFFFAOYSA-N |