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)thiophene-2-carboxamide
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)thiophene-2-carboxamide
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)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G647-2889 |
| 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)thiophene-2-carboxamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C15 H13 N7 O2 S3 |
| Smiles: | CCC1NC2=NC(CSc3nnc(NC(c4cccs4)=O)s3)=CC(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6773 |
| logD: | 2.6773 |
| logSw: | -2.985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.221 |
| InChI Key: | XCTZWUGCPMGQOD-UHFFFAOYSA-N |