ethyl 3-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 3-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamido]benzoate
ethyl 3-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | E020-0410 |
| Compound Name: | ethyl 3-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamido]benzoate |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C18 H18 N4 O4 |
| Smiles: | CCOC(c1cccc(c1)NC(CN1C(c2cccn2C(C)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9137 |
| logD: | 2.9137 |
| logSw: | -3.0862 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.202 |
| InChI Key: | FKERJFRVWMBSOW-UHFFFAOYSA-N |