N-(5-chloro-2-methylphenyl)-2-({6-[(4-methoxyphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-({6-[(4-methoxyphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
N-(5-chloro-2-methylphenyl)-2-({6-[(4-methoxyphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G856-8045 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-({6-[(4-methoxyphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 470.94 |
| Molecular Formula: | C21 H19 Cl N6 O3 S |
| Smiles: | Cc1ccc(cc1NC(CSc1nnc2NC(C(Cc3ccc(cc3)OC)=Nn12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1422 |
| logD: | 3.142 |
| logSw: | -3.5747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.928 |
| InChI Key: | QPYCWBUMXXBMSX-UHFFFAOYSA-N |