8-chloro-1-{[(3-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
8-chloro-1-{[(3-fluorophenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
8-chloro-1-{[(3-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: | F458-0378 |
| Compound Name: | 8-chloro-1-{[(3-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(c2ccc(cc2n2c1nnc2SCc1cccc(c1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4861 |
| logD: | 4.4861 |
| logSw: | -4.6282 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.763 |
| InChI Key: | YIQPQULVJHYERD-UHFFFAOYSA-N |