4-(2-phenylethyl)-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Chemical Structure Depiction of
4-(2-phenylethyl)-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
4-(2-phenylethyl)-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Compound characteristics
| Compound ID: | C200-6959 |
| Compound Name: | 4-(2-phenylethyl)-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one |
| Molecular Weight: | 322.39 |
| Molecular Formula: | C17 H14 N4 O S |
| Smiles: | C(CN1C2=NNC(N2c2ccccc2C1=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9977 |
| logD: | -3.9703 |
| logSw: | -3.6929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.353 |
| InChI Key: | VBEUIVPLCISBPO-UHFFFAOYSA-N |