methyl 2-[2-({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 4429-0012 |
| Compound Name: | methyl 2-[2-({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 427.44 |
| Molecular Formula: | C19 H17 N5 O5 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7105 |
| logD: | 2.6986 |
| logSw: | -3.416 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.688 |
| InChI Key: | QDFVGODRQZAPCS-UHFFFAOYSA-N |