methyl [(8-oxo-6-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(8-oxo-6-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate
methyl [(8-oxo-6-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D718-0124 |
| Compound Name: | methyl [(8-oxo-6-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | COC(CSc1nc2N=C3CC(CC(C3=Cn2n1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1917 |
| logD: | 2.1917 |
| logSw: | -2.513 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.971 |
| InChI Key: | MIRLKIAOLSCTQQ-GFCCVEGCSA-N |