N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D614-0173 |
| Compound Name: | N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C20 H16 N6 O2 S |
| Smiles: | [H]C([H])(c1ccc(C#N)cc1)N(C(c1cccs1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1256 |
| logD: | 2.7453 |
| logSw: | -3.1952 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.876 |
| InChI Key: | FBJNZTJDFVACGQ-UHFFFAOYSA-N |