2-(2-{[(2-chlorophenyl)methyl]amino}-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-{[(2-chlorophenyl)methyl]amino}-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-{[(2-chlorophenyl)methyl]amino}-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: | L982-0179 |
| Compound Name: | 2-(2-{[(2-chlorophenyl)methyl]amino}-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(NCc2ccccc2[Cl])=O)C(c2c(C)c(C(NCc3ccc(cc3)F)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6069 |
| logD: | 2.602 |
| logSw: | -3.4948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.841 |
| InChI Key: | AMLFTMKRGSBSTJ-UHFFFAOYSA-N |