2-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-6,8-dimethyl-N-[(4-methylphenyl)methyl]-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)-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
2-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0107 |
| Compound Name: | 2-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 491.98 |
| Molecular Formula: | C26 H26 Cl N5 O3 |
| Smiles: | [H]C1=NN(CC(NCc2ccccc2[Cl])=O)C(c2c(C)c(C(NCc3ccc(C)cc3)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0012 |
| logD: | 2.9994 |
| logSw: | -3.667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.841 |
| InChI Key: | LREBMTHMQRGVNP-UHFFFAOYSA-N |