methyl {[2-(4-chlorophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[2-(4-chlorophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate
methyl {[2-(4-chlorophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D718-1074 |
| Compound Name: | methyl {[2-(4-chlorophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 384.84 |
| Molecular Formula: | C18 H13 Cl N4 O2 S |
| Smiles: | COC(CSc1nc2ccccc2c2nc(c3ccc(cc3)[Cl])nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3509 |
| logD: | 4.3455 |
| logSw: | -4.6362 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.647 |
| InChI Key: | MGCYKSOOKYQYIN-UHFFFAOYSA-N |