3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(piperidine-1-sulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(piperidine-1-sulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(piperidine-1-sulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-7945 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(piperidine-1-sulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 728.65 |
| Molecular Formula: | C31 H32 F3 N3 O5 S2 |
| Salt: | HBr |
| Smiles: | COc1ccc(CCN2C(=CSC/2=N/c2ccc(cc2)OC(F)(F)F)c2ccc(cc2)S(N2CCCCC2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.997 |
| logD: | 6.9966 |
| logSw: | -5.7663 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.19 |
| InChI Key: | JSKSWJBCZGNQNH-GXVXDJONSA-N |