8-chloro-1-{[(4-fluorophenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
8-chloro-1-{[(4-fluorophenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
8-chloro-1-{[(4-fluorophenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0347 |
| Compound Name: | 8-chloro-1-{[(4-fluorophenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C19 H16 Cl F N4 O S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1ccc(cc1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2366 |
| logD: | 4.2366 |
| logSw: | -4.5087 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | VKUMBXXYIKXGHP-UHFFFAOYSA-N |