C22H22N2O3S
methyl 2-[[(Z)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: (Z)-methyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|methyl 2-({(2Z)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS: 469872-49-9
| Molecular Formula | C22H22N2O3S |
|---|---|
| Molecular Weight | 394.1351 g/mol |
| LogP | 4.69248 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1351 |
| Monoisotopic Mass | 394.1351 |
| Heavy Atoms | 28 |
| Complexity | 978.44617 |
Chemical Identifiers
| CAS Number | 469872-49-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C(/C#N)\C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC |
Product Overview
C22H22N2O3S (CAS 469872-49-9), with molecular formula C22H22N2O3S and molecular weight 394.1351 g/mol. IUPAC: methyl 2-[[(Z)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
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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