1-{[(2-chlorophenyl)methyl]sulfanyl}-7-fluoro-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2-chlorophenyl)methyl]sulfanyl}-7-fluoro-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2-chlorophenyl)methyl]sulfanyl}-7-fluoro-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0457 |
| Compound Name: | 1-{[(2-chlorophenyl)methyl]sulfanyl}-7-fluoro-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C20 H18 Cl F N4 O S |
| Smiles: | CC(C)CN1C(c2cc(ccc2n2c1nnc2SCc1ccccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2473 |
| logD: | 5.2473 |
| logSw: | -5.5001 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.583 |
| InChI Key: | MNEAWGVJAMSKQY-UHFFFAOYSA-N |