3-(2-{[5-(1-benzamido-2-hydroxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[5-(1-benzamido-2-hydroxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[5-(1-benzamido-2-hydroxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | 7309-0137 |
| Compound Name: | 3-(2-{[5-(1-benzamido-2-hydroxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | Cn1c(C(CO)NC(c2ccccc2)=O)nnc1SCC(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.658 |
| logD: | -1.2278 |
| logSw: | -2.4306 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.039 |
| InChI Key: | GHUQLDHXHFAQCQ-INIZCTEOSA-N |