3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid
Chemical Structure Depiction of
3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid
3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid
Compound characteristics
| Compound ID: | 8015-3538 |
| Compound Name: | 3-{2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetamido}-3-(4-methoxyphenyl)propanoic acid |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C14 H17 N5 O4 S |
| Smiles: | COc1ccc(cc1)C(CC(O)=O)NC(CSc1nc(N)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1293 |
| logD: | -2.5085 |
| logSw: | -2.0798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 113.241 |
| InChI Key: | XMGACUPBWMKXJG-JTQLQIEISA-N |