N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | D439-6626 |
| Compound Name: | N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(c3ccco3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0982 |
| logD: | 1.9294 |
| logSw: | -2.778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.847 |
| InChI Key: | BJRNJDDSASDQME-UHFFFAOYSA-N |