ethyl 4-(2-{[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8014-2734 |
| Compound Name: | ethyl 4-(2-{[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnnn1c1c(C)cccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2063 |
| logD: | 4.2062 |
| logSw: | -4.1124 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.19 |
| InChI Key: | JUTWRCFURHBILJ-UHFFFAOYSA-N |