4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate
Chemical Structure Depiction of
4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate
4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate
Compound characteristics
| Compound ID: | 3660-0428 |
| Compound Name: | 4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C17 H16 N6 O3 S |
| Smiles: | CCN(CC)c1cc(c(c2c1non2)[N+]([O-])=O)Nc1ccc(cc1)SC#N |
| Stereo: | ACHIRAL |
| logP: | 5.2487 |
| logD: | 5.2487 |
| logSw: | -5.19 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.325 |
| InChI Key: | YKVLUTUDZYKQBX-UHFFFAOYSA-N |