3-{[(2-chlorophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | C456-0005 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C22 H15 Cl N4 S |
| Smiles: | C(c1ccccc1[Cl])Sc1nnc2c3ccccc3nc(c3ccccc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 6.016 |
| logD: | 6.0031 |
| logSw: | -6.3373 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.3102 |
| InChI Key: | QXMWXIJJDIRNMA-UHFFFAOYSA-N |