9-(3-bromophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-bromophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2466 |
| Compound Name: | 9-(3-bromophenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 485.38 |
| Molecular Formula: | C22 H18 Br F N4 O S |
| Smiles: | C1CC2=C(C(c3cccc(c3)[Br])n3c(N2)nc(n3)SCc2ccc(cc2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2178 |
| logD: | 5.1559 |
| logSw: | -5.3827 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | BKKMLGUBQVDIPH-FQEVSTJZSA-N |