methyl 2-(2-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8014-7147 |
| Compound Name: | methyl 2-(2-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C17 H14 F N5 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnnn1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6489 |
| logD: | 2.637 |
| logSw: | -3.3841 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.514 |
| InChI Key: | YJBRLMBINJZBTF-UHFFFAOYSA-N |