3-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]butanamide
Chemical Structure Depiction of
3-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]butanamide
3-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]butanamide
Compound characteristics
Compound ID: | D439-6635 |
Compound Name: | 3-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]butanamide |
Molecular Weight: | 399.51 |
Molecular Formula: | C20 H25 N5 O2 S |
Smiles: | CC(C)CC(Nc1ccc(cc1)SCC1=CC(N2C(N=CN2C(C)C)=N1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.6239 |
logD: | 2.4551 |
logSw: | -3.1218 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.326 |
InChI Key: | VWJPEXSELDJUKX-UHFFFAOYSA-N |