4-(3-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1)
4-(3-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | 8009-1674 |
| Compound Name: | 4-(3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1) |
| Molecular Weight: | 670.57 |
| Molecular Formula: | C28 H26 F3 N3 O4 S2 |
| Salt: | HBr |
| Smiles: | CCN(CC)S(c1ccc(cc1)C1=CSC(=N/c2cccc(c2)C(F)(F)F)\N1Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9242 |
| logD: | 6.9238 |
| logSw: | -5.98 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.515 |
| InChI Key: | MAWGELFOGJMLQQ-MXNGAVTRSA-N |