N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3448-1908 |
| Compound Name: | N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 565.65 |
| Molecular Formula: | C24 H19 N7 O4 S3 |
| Smiles: | COc1ccc(cc1CSc1nc2ccc(cc2s1)NC(CSc1nnnn1c1ccccc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4219 |
| logD: | 5.4219 |
| logSw: | -5.3689 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.86 |
| InChI Key: | HXWXJEZTZKJUCW-UHFFFAOYSA-N |