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)-3-phenylpropanamide
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)-3-phenylpropanamide
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)-3-phenylpropanamide
Compound characteristics
| Compound ID: | G647-2943 |
| 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)-3-phenylpropanamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C19 H19 N7 O2 S2 |
| Smiles: | CCC1NC2=NC(CSc3nnc(NC(CCc4ccccc4)=O)s3)=CC(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0411 |
| logD: | 3.0411 |
| logSw: | -3.476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.989 |
| InChI Key: | REQVBUAQGFVZEE-UHFFFAOYSA-N |