3-(4-amino-3-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
Chemical Structure Depiction of
3-(4-amino-3-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
3-(4-amino-3-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
Compound characteristics
| Compound ID: | 8017-1471 |
| Compound Name: | 3-(4-amino-3-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C15 H17 N5 O5 S |
| Smiles: | COc1ccccc1NC(CSC1=NN=C(CCC(O)=O)C(N1N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1268 |
| logD: | -2.5325 |
| logSw: | -2.1138 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 111.484 |
| InChI Key: | VBTDWPZUEPFGQI-UHFFFAOYSA-N |