N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzene-1-sulfonamide
N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 1582-0019 |
| Compound Name: | N-(2,6-dimethoxypyrimidin-4-yl)-4-[(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)amino]benzene-1-sulfonamide |
| Molecular Weight: | 518.42 |
| Molecular Formula: | C18 H14 N8 O9 S |
| Smiles: | COc1cc(NS(c2ccc(cc2)Nc2c(cc(c3c2non3)[N+]([O-])=O)[N+]([O-])=O)(=O)=O)nc(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2398 |
| logD: | 0.1122 |
| logSw: | -3.9157 |
| Hydrogen bond acceptors count: | 19 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 185.354 |
| InChI Key: | HZXCJLFYISBYEQ-UHFFFAOYSA-N |