N-[(4-bromophenyl)methyl]-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
N-[(4-bromophenyl)methyl]-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D614-0497 |
| Compound Name: | N-[(4-bromophenyl)methyl]-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide |
| Molecular Weight: | 484.35 |
| Molecular Formula: | C22 H22 Br N5 O3 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccco1)=O)C([H])([H])c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1692 |
| logD: | 4.993 |
| logSw: | -4.8791 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.38 |
| InChI Key: | DCWMPTNMLPVHQC-UHFFFAOYSA-N |