5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazoline
5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0025 |
| Compound Name: | 5-{[(4-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C19 H17 Cl N4 O2 S |
| Smiles: | Cc1nc2c3cc(c(cc3nc(n2n1)SCc1ccc(cc1)[Cl])OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.82 |
| logD: | 3.7766 |
| logSw: | -4.3875 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.942 |
| InChI Key: | NWVBEIJZRJMXFX-UHFFFAOYSA-N |