6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Chemical Structure Depiction of
6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0127 |
| Compound Name: | 6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | [H]C1=NN(CC(Nc2cccc(c2)SC)=O)C(c2c(C)c(C(NCc3ccc(C)cc3)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1024 |
| logD: | 3.1005 |
| logSw: | -3.309 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.519 |
| InChI Key: | OLTRJVXQSGAZKH-UHFFFAOYSA-N |