2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Chemical Structure Depiction of
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
Compound ID: | L982-0214 |
Compound Name: | 2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
Molecular Weight: | 495.94 |
Molecular Formula: | C25 H23 Cl F N5 O3 |
Smiles: | [H]C1=NN(CC(Nc2cc(ccc2C)[Cl])=O)C(c2c(C)c(C(NCc3ccc(cc3)F)=O)c(C)n12)=O |
Stereo: | ACHIRAL |
logP: | 2.7043 |
logD: | 2.6994 |
logSw: | -3.769 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.821 |
InChI Key: | FLWBHSIWCGNKFS-UHFFFAOYSA-N |