methyl 4-[(2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-[(2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]benzoate--hydrogen chloride (1/1)
methyl 4-[(2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8008-9065 |
| Compound Name: | methyl 4-[(2-{4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 481.86 |
| Molecular Formula: | C20 H18 F3 N7 O2 |
| Salt: | HCl |
| Smiles: | CNc1nc(Nc2cccc(c2)C(F)(F)F)nc(N/N=C/c2ccc(cc2)C(=O)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6628 |
| logD: | 5.6613 |
| logSw: | -5.7474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.387 |
| InChI Key: | WVUUVGZUSSRNAS-OPEKNORGSA-N |