4-nitro-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)benzamide
Chemical Structure Depiction of
4-nitro-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)benzamide
4-nitro-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | K608-0001 |
| Compound Name: | 4-nitro-N-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)benzamide |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C13 H9 N3 O7 S2 |
| Smiles: | c1ccc2c(c1)S(N(NC(c1ccc(cc1)[N+]([O-])=O)=O)S2(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9901 |
| logD: | 0.9894 |
| logSw: | -2.381 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.434 |
| InChI Key: | XZBVEXJNUSYQIL-UHFFFAOYSA-N |