3-fluoro-4-methyl-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-fluoro-4-methyl-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-fluoro-4-methyl-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: | D439-6699 |
Compound Name: | 3-fluoro-4-methyl-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: | 451.52 |
Molecular Formula: | C23 H22 F N5 O2 S |
Smiles: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(c3ccc(C)c(c3)F)=O)=CC(N12)=O |
Stereo: | ACHIRAL |
logP: | 3.4952 |
logD: | 3.325 |
logSw: | -3.917 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.268 |
InChI Key: | YGWSCQXWSMPRPV-UHFFFAOYSA-N |