4-{[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate
Chemical Structure Depiction of
4-{[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate
4-{[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate
Compound characteristics
| Compound ID: | 3660-0464 |
| Compound Name: | 4-{[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate |
| Molecular Weight: | 356.36 |
| Molecular Formula: | C15 H12 N6 O3 S |
| Smiles: | CN(C)c1cc(c(c2c1non2)[N+]([O-])=O)Nc1ccc(cc1)SC#N |
| Stereo: | ACHIRAL |
| logP: | 4.7973 |
| logD: | 4.7973 |
| logSw: | -4.6854 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.393 |
| InChI Key: | DHIAXPBOPAKPHZ-UHFFFAOYSA-N |