3-{[2-({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]methyl}benzoic acid
Chemical Structure Depiction of
3-{[2-({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]methyl}benzoic acid
3-{[2-({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]methyl}benzoic acid
Compound characteristics
| Compound ID: | 6646-0038 |
| Compound Name: | 3-{[2-({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]methyl}benzoic acid |
| Molecular Weight: | 427.44 |
| Molecular Formula: | C19 H17 N5 O5 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCC(NCc1cccc(c1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5467 |
| logD: | -0.8147 |
| logSw: | -2.608 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.942 |
| InChI Key: | XEMKMVJECJZREN-UHFFFAOYSA-N |