N-(5-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
Chemical Structure Depiction of
N-(5-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
N-(5-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
Compound characteristics
Compound ID: | G647-2924 |
Compound Name: | N-(5-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide |
Molecular Weight: | 443.5 |
Molecular Formula: | C18 H17 N7 O3 S2 |
Smiles: | CCC1NC2=NC(CSc3nnc(NC(c4ccccc4OC)=O)s3)=CC(N2N=1)=O |
Stereo: | ACHIRAL |
logP: | 2.5897 |
logD: | 2.5897 |
logSw: | -3.397 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 105.833 |
InChI Key: | YWFHMMYNCPTXJJ-UHFFFAOYSA-N |