N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3308 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nc2CC(C)(C)CC(c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8586 |
| logD: | 1.8382 |
| logSw: | -4.161 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.126 |
| InChI Key: | MAVPFHMBRCZGKW-UHFFFAOYSA-N |