N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G647-2554 |
| Compound Name: | N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C23 H17 N5 O2 S2 |
| Smiles: | C(C1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O)Sc1ccccc1NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7851 |
| logD: | 3.7851 |
| logSw: | -4.1533 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.336 |
| InChI Key: | SPEONCPNKHPGKA-UHFFFAOYSA-N |