N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-nitrobenzamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-nitrobenzamide
Compound characteristics
Compound ID: | 5298-5085 |
Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-nitrobenzamide |
Molecular Weight: | 345.37 |
Molecular Formula: | C16 H15 N3 O4 S |
Smiles: | CC1(C)CC(c2c(C1)nc(NC(c1ccccc1[N+]([O-])=O)=O)s2)=O |
Stereo: | ACHIRAL |
logP: | 3.1291 |
logD: | -0.6276 |
logSw: | -3.8667 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.126 |
InChI Key: | NSOJGKABPDHCAR-UHFFFAOYSA-N |