N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 5298-5055 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(c1ccc(cc1)[N+]([O-])=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.366 |
| logD: | 1.8736 |
| logSw: | -3.705 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.427 |
| InChI Key: | LZBSFENGKMFZHZ-UHFFFAOYSA-N |