(4-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl)(4-fluorophenyl)methanone
Chemical Structure Depiction of
(4-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl)(4-fluorophenyl)methanone
(4-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl)(4-fluorophenyl)methanone
Compound characteristics
| Compound ID: | 6770-0025 |
| Compound Name: | (4-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl)(4-fluorophenyl)methanone |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C21 H17 F N4 O S |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SCc1ccc(cc1)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4464 |
| logD: | 3.4463 |
| logSw: | -3.6896 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.12 |
| InChI Key: | KWYDLLDSNDYQSN-UHFFFAOYSA-N |