AC1N7E8I
methyl 4-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate
Also Known As: Oprea1_509494|methyl 4-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate|F0473-0406|methyl 4-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)benzoate
CAS: 391877-01-3
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10382 g/mol |
| LogP | 3.78348 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.10382 |
| Monoisotopic Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 862.0297 |
Chemical Identifiers
| CAS Number | 391877-01-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
AC1N7E8I (CAS 391877-01-3), with molecular formula C19H18N2O3S and molecular weight 354.10382 g/mol. IUPAC: methyl 4-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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