1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-methyl-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-4-fluorophenyl)methyl]sulfanyl}-7-methyl-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-methyl-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0263 |
| Compound Name: | 1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-methyl-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 474.98 |
| Molecular Formula: | C23 H24 Cl F N4 O2 S |
| Smiles: | CC(C)OCCCN1C(c2cc(C)ccc2n2c1nnc2SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0962 |
| logD: | 5.0962 |
| logSw: | -5.2138 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.763 |
| InChI Key: | OBHIXEINRIZVOR-UHFFFAOYSA-N |