methyl {[8-oxo-6-(thiophen-2-yl)-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-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
methyl {[8-oxo-6-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D718-0340 |
| Compound Name: | methyl {[8-oxo-6-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C16 H14 N4 O3 S2 |
| Smiles: | COC(CSc1nc2N=C3CC(CC(C3=Cn2n1)=O)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7288 |
| logD: | 1.7288 |
| logSw: | -2.2322 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.99 |
| InChI Key: | NWXPDEHEEPHVMU-VIFPVBQESA-N |