methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 5417-0892 |
| Compound Name: | methyl 4-{5-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate |
| Molecular Weight: | 308.31 |
| Molecular Formula: | C12 H12 N4 O4 S |
| Smiles: | COC(CSc1nnnn1c1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.606 |
| logD: | 1.606 |
| logSw: | -2.1318 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.913 |
| InChI Key: | FPMZKSVQDXCIAY-UHFFFAOYSA-N |