AC1MJQVU
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
Also Known As: BAS 02497637|Methyl 2-(4-(2,4-dichlorophenoxy)butanamido)-4-methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)thiophene-3-carboxylate|2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-4-methyl-5-(3-trifluoromethyl-phenylcarbamoyl)-thiophene-3-carboxylic acid methyl ester|methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate|Methyl2-(4-(2,4-dichlorophenoxy)butanamido)-4-methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)thiophene-3-carboxylate
| Molecular Formula | C25H21Cl2F3N2O5S |
|---|---|
| Molecular Weight | 588.05005 g/mol |
| LogP | 7.21872 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 588.05005 |
| Monoisotopic Mass | 588.05005 |
| Heavy Atoms | 38 |
| Complexity | 1361.252 |
Chemical Identifiers
| CAS Number | 335409-42-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AC1MJQVU (CAS 335409-42-2), with molecular formula C25H21Cl2F3N2O5S and molecular weight 588.05005 g/mol. IUPAC: methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate.
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