N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 0478-0658 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 329.33 |
| Molecular Formula: | C15 H11 N3 O4 S |
| Smiles: | COc1ccc2c(c1)sc(NC(c1ccc(cc1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.8725 |
| logD: | 3.8713 |
| logSw: | -4.1579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.016 |
| InChI Key: | BHSMUQNJVDRFKR-UHFFFAOYSA-N |