N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide
Chemical Structure Depiction of
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide
N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | 8009-7244 |
| Compound Name: | N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methylbenzamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C23 H19 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0925 |
| logD: | 6.0917 |
| logSw: | -5.418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.151 |
| InChI Key: | OFAIJVGVJMJPQQ-UHFFFAOYSA-N |