N-(2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine--hydrogen bromide (1/1)
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine--hydrogen bromide (1/1)
N-(2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8007-7826 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine--hydrogen bromide (1/1) |
| Molecular Weight: | 422.25 |
| Molecular Formula: | C16 H11 N3 O4 S |
| Salt: | HBr |
| Smiles: | C1Oc2ccc(cc2O1)Nc1nc(cs1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0448 |
| logD: | 5.0448 |
| logSw: | -5.1277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.423 |
| InChI Key: | JEJABRMMPFHKDN-UHFFFAOYSA-N |