3-chloro-4-fluoro-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
3-chloro-4-fluoro-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | D439-6698 |
| Compound Name: | 3-chloro-4-fluoro-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C22 H19 Cl F N5 O2 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(c3ccc(c(c3)[Cl])F)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3656 |
| logD: | 3.1868 |
| logSw: | -3.8984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.268 |
| InChI Key: | ALXBFVMKQGLAAE-UHFFFAOYSA-N |