N-benzyl-2-[2-(3-chloro-2-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-(3-chloro-2-methylanilino)-2-oxoethyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
N-benzyl-2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
Compound ID: | L982-0056 |
Compound Name: | N-benzyl-2-[2-(3-chloro-2-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(Nc2cccc(c2C)[Cl])=O)C(c2c(C)c(C(NCc3ccccc3)=O)c(C)n12)=O |
Stereo: | ACHIRAL |
logP: | 3.0254 |
logD: | 3.0236 |
logSw: | -3.6468 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.821 |
InChI Key: | HVZKONLPHJGPRH-UHFFFAOYSA-N |