N-[(4-chlorophenyl)methyl]-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-[(4-chlorophenyl)methyl]-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0300 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{[7-(4-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9943 |
| logD: | 1.9943 |
| logSw: | -2.7884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.717 |
| InChI Key: | ORYCCGKECJGZDJ-UHFFFAOYSA-N |