N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 5298-5109 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1nc2CC(C)(C)CC(c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6812 |
| logD: | 0.6974 |
| logSw: | -4.1527 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.126 |
| InChI Key: | LKPRUJRZMGAVDC-UHFFFAOYSA-N |