5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0080 |
| Compound Name: | 5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 462.96 |
| Molecular Formula: | C24 H19 Cl N4 O2 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccccc2)n1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6387 |
| logD: | 5.6212 |
| logSw: | -6.1064 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.058 |
| InChI Key: | FCQAODCEFGSKRD-UHFFFAOYSA-N |