4,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
Chemical Structure Depiction of
4,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
4,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
Compound characteristics
Compound ID: | Y032-3706 |
Compound Name: | 4,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide |
Molecular Weight: | 373.39 |
Molecular Formula: | C17 H15 N3 O5 S |
Smiles: | Cc1cccc2c1nc(NC(c1cc(c(cc1[N+]([O-])=O)OC)OC)=O)s2 |
Stereo: | ACHIRAL |
logP: | 3.7553 |
logD: | 3.6381 |
logSw: | -4.06 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.203 |
InChI Key: | XIPFXGWQTAGGHI-UHFFFAOYSA-N |