methyl {[6-(4-methoxyphenyl)-8-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[6-(4-methoxyphenyl)-8-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
methyl {[6-(4-methoxyphenyl)-8-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D718-0366 |
| Compound Name: | methyl {[6-(4-methoxyphenyl)-8-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | COC(CSc1nc2N=C3CC(CC(C3=Cn2n1)=O)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1697 |
| logD: | 2.1697 |
| logSw: | -2.5853 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.515 |
| InChI Key: | WMDOIOPCXZOAHW-GFCCVEGCSA-N |