N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamide
Compound characteristics
| Compound ID: | 8015-0532 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamide |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | CSc1ccc(cc1)c1nnn(CC(NCc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.009 |
| logD: | 3.009 |
| logSw: | -3.3702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.929 |
| InChI Key: | ZTYKGRDZOREQJI-UHFFFAOYSA-N |