2-[2-(4-bromoanilino)-2-oxoethyl]-6,8-dimethyl-N-(2-methylpropyl)-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Chemical Structure Depiction of
2-[2-(4-bromoanilino)-2-oxoethyl]-6,8-dimethyl-N-(2-methylpropyl)-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
2-[2-(4-bromoanilino)-2-oxoethyl]-6,8-dimethyl-N-(2-methylpropyl)-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0431 |
| Compound Name: | 2-[2-(4-bromoanilino)-2-oxoethyl]-6,8-dimethyl-N-(2-methylpropyl)-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 474.36 |
| Molecular Formula: | C21 H24 Br N5 O3 |
| Smiles: | [H]C1=NN(CC(Nc2ccc(cc2)[Br])=O)C(c2c(C)c(C(NCC(C)C)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6373 |
| logD: | 2.6372 |
| logSw: | -3.1073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.791 |
| InChI Key: | HFIGFTQPQFHENO-UHFFFAOYSA-N |