methyl 4-[2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8014-9440 |
| Compound Name: | methyl 4-[2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 453.4 |
| Molecular Formula: | C18 H14 F3 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnnn1c1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1772 |
| logD: | 4.1771 |
| logSw: | -4.2846 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.149 |
| InChI Key: | FKLQDPNEIRJJFE-UHFFFAOYSA-N |