N-[(4-methoxyphenyl)methyl]-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-[(4-methoxyphenyl)methyl]-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0218 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | COc1ccc(CNC(CSc2nnc3C(N(C=Cn23)c2ccccc2OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3048 |
| logD: | 1.3048 |
| logSw: | -2.1262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.047 |
| InChI Key: | LLBRWQXSPRIALB-UHFFFAOYSA-N |