AC1LZFN7
propan-2-yl 2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-isopropyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methylethyl 2-{(2E)-3-[5-(2,4-dichlorophenyl)(2-furyl)]-2-cyanoprop-2-enoylami no}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|propan-2-yl 2-({(2E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|propan-2-yl 2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H22Cl2N2O4S |
|---|---|
| Molecular Weight | 528.06775 g/mol |
| LogP | 7.30458 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.06775 |
| Monoisotopic Mass | 528.06775 |
| Heavy Atoms | 35 |
| Complexity | 1364.0741 |
Chemical Identifiers
| CAS Number | 488706-45-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)/C#N |
Product Overview
AC1LZFN7 (CAS 488706-45-2), with molecular formula C26H22Cl2N2O4S and molecular weight 528.06775 g/mol. IUPAC: propan-2-yl 2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.