4-(3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-(3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1)
4-(3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-1671 |
| Compound Name: | 4-(3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1) |
| Molecular Weight: | 700.64 |
| Molecular Formula: | C30 H32 F3 N3 O4 S2 |
| Salt: | HBr |
| Smiles: | CCN(CC)S(c1ccc(cc1)C1=CSC(=N/c2cccc(c2)C(F)(F)F)\N1CCc1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6692 |
| logD: | 6.669 |
| logSw: | -5.9784 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.639 |
| InChI Key: | AAHGZXZWQFYNQR-BNIPGBBVSA-N |