{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetonitrile
{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | J084-0483 |
| Compound Name: | {[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 347.4 |
| Molecular Formula: | C18 H13 N5 O S |
| Smiles: | COc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.4311 |
| logD: | 3.4219 |
| logSw: | -3.6524 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.617 |
| InChI Key: | VJLTWGWLPXVKJJ-UHFFFAOYSA-N |