{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetonitrile
{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | J084-0887 |
| Compound Name: | {[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 331.4 |
| Molecular Formula: | C18 H13 N5 S |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.8721 |
| logD: | 3.7949 |
| logSw: | -3.9745 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.074 |
| InChI Key: | BVEZSTVCLFVLHZ-UHFFFAOYSA-N |