2-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}quinazolin-4(3H)-one
2-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G856-6170 |
| Compound Name: | 2-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C17 H13 N5 O S2 |
| Smiles: | C(C1=NNC(N1c1ccccc1)=S)SC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4667 |
| logD: | 1.3653 |
| logSw: | -3.1876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.363 |
| InChI Key: | FGSLNWPQYWRRCT-UHFFFAOYSA-N |