N-[(4-bromophenyl)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-bromophenyl)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-bromophenyl)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: | D614-0098 |
| Compound Name: | N-[(4-bromophenyl)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: | 458.33 |
| Molecular Formula: | C19 H16 Br N5 O2 S |
| Smiles: | [H]C([H])(c1ccc(cc1)[Br])N(C(c1cccs1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3051 |
| logD: | 3.9247 |
| logSw: | -4.2961 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.82 |
| InChI Key: | IVNXYTMLYQAKMK-UHFFFAOYSA-N |