N-benzyl-2-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-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-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
N-benzyl-2-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0042 |
| Compound Name: | N-benzyl-2-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C26 H25 N5 O5 |
| Smiles: | [H]C1=NN(CC(Nc2ccc3c(c2)OCCO3)=O)C(c2c(C)c(C(NCc3ccccc3)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1907 |
| logD: | 1.1888 |
| logSw: | -2.3451 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.342 |
| InChI Key: | FRCHYVNMKKHVAU-UHFFFAOYSA-N |