4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3692 |
| Compound Name: | 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C16 H13 N3 O4 S |
| Smiles: | Cc1cccc2c1nc(NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7332 |
| logD: | 3.7074 |
| logSw: | -4.1238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.572 |
| InChI Key: | AOQQALMGKMYFJN-UHFFFAOYSA-N |