N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D614-0148 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | [H]C([H])(c1ccc(cc1)OCC)N(C(c1cccs1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8401 |
| logD: | 3.4598 |
| logSw: | -3.8529 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.943 |
| InChI Key: | QABJKBMFRLEOAD-UHFFFAOYSA-N |