methyl 2-(2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F831-0707 |
| Compound Name: | methyl 2-(2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 492.94 |
| Molecular Formula: | C23 H17 Cl N6 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc2c3cc(c4ccc(cc4)[Cl])nn3ccn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5401 |
| logD: | 3.4568 |
| logSw: | -4.0946 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.933 |
| InChI Key: | HJJYHQVNMVZJAS-UHFFFAOYSA-N |