methyl 2-[2-({1-[4-(propoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({1-[4-(propoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({1-[4-(propoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 3448-8193 |
| Compound Name: | methyl 2-[2-({1-[4-(propoxycarbonyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | CCCOC(c1ccc(cc1)n1c(nnn1)SCC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.733 |
| logD: | 3.7211 |
| logSw: | -3.9496 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.562 |
| InChI Key: | AIZCYQFYCHWTRB-UHFFFAOYSA-N |