ethyl [(5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
ethyl [(5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 2595-0238 |
| Compound Name: | ethyl [(5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate |
| Molecular Weight: | 291.33 |
| Molecular Formula: | C13 H13 N3 O3 S |
| Smiles: | CCOC(CSC1NC(C(c2ccccc2)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.063 |
| logD: | 1.9216 |
| logSw: | -2.6159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.226 |
| InChI Key: | RUNZWYQXNVHABQ-UHFFFAOYSA-N |