N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | D614-0347 |
| Compound Name: | N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C27 H25 N5 O4 |
| Smiles: | [H]C([H])(C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccco1)=O)C([H])([H])c1ccc(cc1)OCC)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5829 |
| logD: | 4.5187 |
| logSw: | -4.2994 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.232 |
| InChI Key: | RMAPDVGSXGWSEM-UHFFFAOYSA-N |