N-{1-(adamantan-1-yl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{1-(adamantan-1-yl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide
N-{1-(adamantan-1-yl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | K608-0018 |
| Compound Name: | N-{1-(adamantan-1-yl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide |
| Molecular Weight: | 574.63 |
| Molecular Formula: | C25 H26 N4 O8 S2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(C(NN1S(c2ccccc2S1(=O)=O)(=O)=O)=O)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8614 |
| logD: | 2.8614 |
| logSw: | -3.6796 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 145.233 |
| InChI Key: | REOCBFAPXYNTAB-LXFJAFENSA-N |