N-benzyl-2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
N-benzyl-2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0054 |
| Compound Name: | N-benzyl-2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 477.95 |
| Molecular Formula: | C25 H24 Cl N5 O3 |
| Smiles: | [H]C1=NN(CC(Nc2ccc(C)cc2[Cl])=O)C(c2c(C)c(C(NCc3ccccc3)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9419 |
| logD: | 2.9401 |
| logSw: | -3.6836 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.821 |
| InChI Key: | OZPXGBRTNDKONS-UHFFFAOYSA-N |