AC1OHHKV
2-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00675624-01|SR-01000014050-1|2-[(2E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|F1673-5170|(E)-2-(3-(2-chloro-6-fluorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide|2-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-{[(2E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H15ClFN3O2S |
|---|---|
| Molecular Weight | 403.05576 g/mol |
| LogP | 4.06398 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.05576 |
| Monoisotopic Mass | 403.05576 |
| Heavy Atoms | 27 |
| Complexity | 986.8642 |
Chemical Identifiers
| CAS Number | 879909-97-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=C(C=CC=C3Cl)F)/C#N)C(=O)N |
Product Overview
AC1OHHKV (CAS 879909-97-4), with molecular formula C19H15ClFN3O2S and molecular weight 403.05576 g/mol. IUPAC: 2-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
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