N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxy-N-[(thiophen-2-yl)methyl]benzamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxy-N-[(thiophen-2-yl)methyl]benzamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxy-N-[(thiophen-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | D524-2589 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxy-N-[(thiophen-2-yl)methyl]benzamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H21 N5 O4 S |
| Smiles: | [H]C([H])(c1cccs1)N(C(c1ccc(c(c1)OC)OC)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6716 |
| logD: | 2.2913 |
| logSw: | -3.1128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.08 |
| InChI Key: | LIGIALDXKQBJKC-UHFFFAOYSA-N |