butyl N-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}glycinate
Chemical Structure Depiction of
butyl N-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}glycinate
butyl N-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}glycinate
Compound characteristics
| Compound ID: | 3232-0089 |
| Compound Name: | butyl N-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}glycinate |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C13 H20 N4 O5 S |
| Smiles: | CCCCOC(CNC1C(NC(=NN=1)SCC(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1383 |
| logD: | -0.1942 |
| logSw: | -1.8599 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.028 |
| InChI Key: | KQVIFQDYXITVCY-UHFFFAOYSA-N |