2-[(4-chlorophenoxy)methyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Chemical Structure Depiction of
2-[(4-chlorophenoxy)methyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
2-[(4-chlorophenoxy)methyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Compound characteristics
Compound ID: | C445-0010 |
Compound Name: | 2-[(4-chlorophenoxy)methyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione |
Molecular Weight: | 402.86 |
Molecular Formula: | C18 H15 Cl N4 O3 S |
Smiles: | COc1cc2c(cc1OC)NC(n1c2nc(COc2ccc(cc2)[Cl])n1)=S |
Stereo: | ACHIRAL |
logP: | 3.5677 |
logD: | 3.472 |
logSw: | -4.1056 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.897 |
InChI Key: | BKWJXPDMGKEMFU-UHFFFAOYSA-N |