methyl 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8007-4720 |
| Compound Name: | methyl 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | CC1C(NC(=NN=1)SCC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2924 |
| logD: | 1.2111 |
| logSw: | -2.4016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.866 |
| InChI Key: | OJXHTAGOPLNTCR-UHFFFAOYSA-N |