N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0476 |
| Compound Name: | N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C21 H15 N3 O4 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5437 |
| logD: | 4.5435 |
| logSw: | -4.5229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.49 |
| InChI Key: | QOHHTCXTGXJIJP-UHFFFAOYSA-N |