N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide
Chemical Structure Depiction of
N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide
N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | G856-8032 |
| Compound Name: | N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C21 H20 N6 O2 S |
| Smiles: | Cc1ccc(CC2C(Nc3nnc(n3N=2)SCC(N(C)c2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5677 |
| logD: | 2.5676 |
| logSw: | -2.8693 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.046 |
| InChI Key: | LQBPQCITBCPIFM-UHFFFAOYSA-N |