2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-benzyl-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Chemical Structure Depiction of
2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-benzyl-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-benzyl-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
Compound characteristics
| Compound ID: | L982-0036 |
| Compound Name: | 2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-N-benzyl-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H23 N5 O5 |
| Smiles: | [H]C1=NN(CC(Nc2ccc3c(c2)OCO3)=O)C(c2c(C)c(C(NCc3ccccc3)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0512 |
| logD: | 2.0493 |
| logSw: | -2.9329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.635 |
| InChI Key: | XFOKVRSWCIAJOA-UHFFFAOYSA-N |