({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | F458-0103 |
| Compound Name: | ({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C19 H15 N5 O S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c2nnc3SCC#N)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9068 |
| logD: | 2.9068 |
| logSw: | -3.531 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.075 |
| InChI Key: | IYDCOBOWUJAFQH-UHFFFAOYSA-N |