N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1700 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C17 H13 N3 O4 S |
| Smiles: | COc1ccc2c(c1)sc(NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.6185 |
| logD: | 4.6185 |
| logSw: | -4.5732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.803 |
| InChI Key: | OIWBVPJPKRSDFJ-UHFFFAOYSA-N |