N-[(4-chlorophenyl)methyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
N-[(4-chlorophenyl)methyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F831-1151 |
Compound Name: | N-[(4-chlorophenyl)methyl]-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide |
Molecular Weight: | 478.96 |
Molecular Formula: | C23 H19 Cl N6 O2 S |
Smiles: | COc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(NCc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.4792 |
logD: | 3.4342 |
logSw: | -4.0742 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.323 |
InChI Key: | VNBOTPHOEXGCQT-UHFFFAOYSA-N |