pentyl [(5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
pentyl [(5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
pentyl [(5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 2595-0241 |
| Compound Name: | pentyl [(5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | CCCCCOC(CSC1NC(C(c2ccccc2)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4852 |
| logD: | 3.3438 |
| logSw: | -3.5716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.52 |
| InChI Key: | XRZYGGNAQAJSHE-UHFFFAOYSA-N |