5-(4-methoxyphenyl)-3-{[(pyridin-3-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
5-(4-methoxyphenyl)-3-{[(pyridin-3-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-c]quinazoline
5-(4-methoxyphenyl)-3-{[(pyridin-3-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | J084-0403 |
| Compound Name: | 5-(4-methoxyphenyl)-3-{[(pyridin-3-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C22 H17 N5 O S |
| Smiles: | COc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCc1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1551 |
| logD: | 4.0425 |
| logSw: | -4.0829 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.372 |
| InChI Key: | XTMZFVAEMDEMEU-UHFFFAOYSA-N |