2-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
2-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
2-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0125 |
| Compound Name: | 2-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C23 H18 N4 O2 S |
| Smiles: | C1C(CC(C2=Cn3c(N=C12)nc(n3)SCC(c1ccccc1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5938 |
| logD: | 3.5938 |
| logSw: | -3.5972 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.368 |
| InChI Key: | DGERJIZLUWSWTH-QGZVFWFLSA-N |