4-[5-amino-3-(ethoxycarbonyl)-6-oxo-1,2,4-triazin-1(6H)-yl]benzoic acid
Chemical Structure Depiction of
4-[5-amino-3-(ethoxycarbonyl)-6-oxo-1,2,4-triazin-1(6H)-yl]benzoic acid
4-[5-amino-3-(ethoxycarbonyl)-6-oxo-1,2,4-triazin-1(6H)-yl]benzoic acid
Compound characteristics
| Compound ID: | 8013-2568 |
| Compound Name: | 4-[5-amino-3-(ethoxycarbonyl)-6-oxo-1,2,4-triazin-1(6H)-yl]benzoic acid |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | CCOC(C1N=C(C(N(c2ccc(cc2)C(O)=O)N=1)=O)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4986 |
| logD: | -1.8966 |
| logSw: | -1.4256 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.804 |
| InChI Key: | JSRKTFHQJWEAAH-UHFFFAOYSA-N |