1-benzyl-5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1H-tetrazole
Chemical Structure Depiction of
1-benzyl-5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1H-tetrazole
1-benzyl-5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1H-tetrazole
Compound characteristics
| Compound ID: | 8011-5026 |
| Compound Name: | 1-benzyl-5-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1H-tetrazole |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C16 H15 N5 O3 S |
| Smiles: | COc1ccc(cc1CSc1nnnn1Cc1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2103 |
| logD: | 3.2103 |
| logSw: | -3.3954 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.765 |
| InChI Key: | JGJOQRDFBSMVMM-UHFFFAOYSA-N |