N-benzyl-2-[2-(3-chloro-4-fluoroanilino)-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-4-fluoroanilino)-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-4-fluoroanilino)-2-oxoethyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0024 |
| Compound Name: | N-benzyl-2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 481.91 |
| Molecular Formula: | C24 H21 Cl F N5 O3 |
| Smiles: | [H]C1=NN(CC(Nc2ccc(c(c2)[Cl])F)=O)C(c2c(C)c(C(NCc3ccccc3)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9483 |
| logD: | 2.9433 |
| logSw: | -3.7403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.519 |
| InChI Key: | FGYGHRQIBOQHTI-UHFFFAOYSA-N |