AC1LZG2D
butyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|butyl 2-((2E)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl](2-furyl)}prop-2-enoylam ino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|butyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|butyl 2-{[(2E)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C28H25F3N2O4S |
|---|---|
| Molecular Weight | 542.14874 g/mol |
| LogP | 7.40828 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.14874 |
| Monoisotopic Mass | 542.14874 |
| Heavy Atoms | 38 |
| Complexity | 1412.0486 |
Chemical Identifiers
| CAS Number | 488708-23-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)/C#N |
Product Overview
AC1LZG2D (CAS 488708-23-2), with molecular formula C28H25F3N2O4S and molecular weight 542.14874 g/mol. IUPAC: butyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.