2-[(2-oxo-2-phenylethyl)sulfanyl]-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
2-[(2-oxo-2-phenylethyl)sulfanyl]-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
2-[(2-oxo-2-phenylethyl)sulfanyl]-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0110 |
| Compound Name: | 2-[(2-oxo-2-phenylethyl)sulfanyl]-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 338.39 |
| Molecular Formula: | C17 H14 N4 O2 S |
| Smiles: | C1CC2C(=Cn3c(N=2)nc(n3)SCC(c2ccccc2)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8083 |
| logD: | 1.8083 |
| logSw: | -2.1611 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.639 |
| InChI Key: | ODQXRJHKBGADLO-UHFFFAOYSA-N |