methyl 4-({[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}oxy)benzoate
Chemical Structure Depiction of
methyl 4-({[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}oxy)benzoate
methyl 4-({[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}oxy)benzoate
Compound characteristics
| Compound ID: | 8008-7306 |
| Compound Name: | methyl 4-({[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}oxy)benzoate |
| Molecular Weight: | 335.34 |
| Molecular Formula: | C14 H13 N3 O5 S |
| Smiles: | CC1C(NC(=NN=1)SCC(=O)Oc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9347 |
| logD: | 1.8534 |
| logSw: | -2.4814 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.469 |
| InChI Key: | JTNUYZNJEGLKFH-UHFFFAOYSA-N |