N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)thiophene-2-carboxamide
N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D439-4114 |
| Compound Name: | N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CC(C)N1C=NC2=NC(COc3cc(ccc3C)NC(c3cccs3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5829 |
| logD: | 2.2394 |
| logSw: | -3.0357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.872 |
| InChI Key: | SIIAETCGFVASHR-UHFFFAOYSA-N |