AC1MD40Y
2-[[2,2,2-trichloro-1-(propanoylamino)ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBDivE_006784|BAS 00247453|AG-690/08563026|2-[({[2,2,2-trichloro-1-(propionylamino)ethyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-[[2,2,2-trichloro-1-(propanoylamino)ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-[(thioxo{[2,2,2-trichloro-1-(propanoylamino)ethyl]amino}methyl)amino]-4,5,6, 7-tetrahydrobenzo[b]thiophene-3-carboxamide|2-{[(2,2,2-TRICHLORO-1-PROPANAMIDOETHYL)CARBAMOTHIOYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C15H19Cl3N4O2S2 |
|---|---|
| Molecular Weight | 456.0015 g/mol |
| LogP | 3.2347 |
| Topological Polar Surface Area | 96.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.0015 |
| Monoisotopic Mass | 456.0015 |
| Heavy Atoms | 26 |
| Complexity | 718.48004 |
Chemical Identifiers
| CAS Number | 324017-55-2 |
|---|---|
| SMILES | CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N |
Product Overview
AC1MD40Y (CAS 324017-55-2), with molecular formula C15H19Cl3N4O2S2 and molecular weight 456.0015 g/mol. IUPAC: 2-[[2,2,2-trichloro-1-(propanoylamino)ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
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