methyl 2-(2-{[1-(naphthalen-1-yl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[1-(naphthalen-1-yl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[1-(naphthalen-1-yl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8014-7984 |
| Compound Name: | methyl 2-(2-{[1-(naphthalen-1-yl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C21 H17 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnnn1c1cccc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7997 |
| logD: | 3.7878 |
| logSw: | -3.9885 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.942 |
| InChI Key: | GBAYBGYXICJFDX-UHFFFAOYSA-N |