methyl 4-{2-[7-(benzylcarbamoyl)-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[7-(benzylcarbamoyl)-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetamido}benzoate
methyl 4-{2-[7-(benzylcarbamoyl)-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L982-0039 |
| Compound Name: | methyl 4-{2-[7-(benzylcarbamoyl)-6,8-dimethyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C26 H25 N5 O5 |
| Smiles: | [H]C1=NN(CC(Nc2ccc(cc2)C(=O)OC)=O)C(c2c(C)c(C(NCc3ccccc3)=O)c(C)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3088 |
| logD: | 2.307 |
| logSw: | -2.7327 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.693 |
| InChI Key: | UXVZEPGHLGIUPZ-UHFFFAOYSA-N |