N-(5-chloro-2-methoxyphenyl)-2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0729 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C21 H18 Cl N5 O4 S |
| Smiles: | COc1cccc(c1)N1C=Cn2c(C1=O)nnc2SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1677 |
| logD: | 2.1648 |
| logSw: | -3.1565 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.328 |
| InChI Key: | NKJJQHGJRQPUJL-UHFFFAOYSA-N |