methyl N-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}glycinate
Chemical Structure Depiction of
methyl N-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}glycinate
methyl N-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}glycinate
Compound characteristics
| Compound ID: | 1682-3791 |
| Compound Name: | methyl N-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}glycinate |
| Molecular Weight: | 302.31 |
| Molecular Formula: | C10 H14 N4 O5 S |
| Smiles: | CCOC(CSC1NN=C(C(N=1)=O)NCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | -0.5875 |
| logD: | -3.8355 |
| logSw: | -1.1772 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.373 |
| InChI Key: | MBIHPOLMAULLDA-UHFFFAOYSA-N |