3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8013-7922 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 542.45 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Salt: | HBr |
| Smiles: | COc1ccc(CCN2C(=CSC/2=N/c2ccccc2)c2cccc(c2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.5322 |
| logD: | 5.5321 |
| logSw: | -5.6156 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.924 |
| InChI Key: | NWBLJMIVNNCRMR-QPLCGJKRSA-N |