2-{2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
2-{2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
2-{2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | D583-1630 |
| Compound Name: | 2-{2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C20 H21 N5 O5 S2 |
| Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(Nc1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8168 |
| logD: | -2.5961 |
| logSw: | -2.7339 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.476 |
| InChI Key: | XDECODSTCPUYQZ-UHFFFAOYSA-N |