4-[(4-fluorophenyl)methyl]-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
4-[(4-fluorophenyl)methyl]-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Compound characteristics
| Compound ID: | C200-6834 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C16 H11 F N4 O S |
| Smiles: | C(c1ccc(cc1)F)N1C2=NNC(N2c2ccccc2C1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9277 |
| logD: | -3.418 |
| logSw: | -3.655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.374 |
| InChI Key: | OIYNRKLWHMUQSO-UHFFFAOYSA-N |