2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8006-6383 |
| Compound Name: | 2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C15 H12 N2 O3 S2 |
| Smiles: | COc1ccc(CSc2nc3ccccc3s2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2791 |
| logD: | 4.2791 |
| logSw: | -4.4307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.759 |
| InChI Key: | AGMOYBSXRXYPHG-UHFFFAOYSA-N |