3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8008-9961 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 512.38 |
| Molecular Formula: | C23 H17 N3 O4 S |
| Salt: | HBr |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=CSC/1=N/c1ccccc1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7676 |
| logD: | 5.7674 |
| logSw: | -6.1194 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.8 |
| InChI Key: | XDONWYFTIWECGU-VHXPQNKSSA-N |