1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0059 |
| Compound Name: | 1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C22 H22 Cl F N4 O2 S |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c1nnc2SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3122 |
| logD: | 4.3122 |
| logSw: | -4.5472 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.763 |
| InChI Key: | QXNAPFGRXJQZTO-UHFFFAOYSA-N |