N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | 5298-5445 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C18 H19 N3 O6 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(c1cc(c(cc1[N+]([O-])=O)OC)OC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.961 |
| logD: | 0.1157 |
| logSw: | -3.583 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.387 |
| InChI Key: | LHCDYLYQGFHTQT-UHFFFAOYSA-N |