N-(butan-2-yl)-2-(4-nitrobenzamido)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-(4-nitrobenzamido)-1,3-benzothiazole-6-carboxamide
N-(butan-2-yl)-2-(4-nitrobenzamido)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | 0812-1032 |
| Compound Name: | N-(butan-2-yl)-2-(4-nitrobenzamido)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | CCC(C)NC(c1ccc2c(c1)sc(NC(c1ccc(cc1)[N+]([O-])=O)=O)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7076 |
| logD: | 3.7043 |
| logSw: | -4.0026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.599 |
| InChI Key: | WDIWMUCBMLWLDY-NSHDSACASA-N |