2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-0320 |
| Compound Name: | 2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C18 H18 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C(CSc1nnnn1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6674 |
| logD: | 2.6674 |
| logSw: | -3.0165 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.26 |
| InChI Key: | VFTBHVXUZBTZNH-UHFFFAOYSA-N |