AC1NT5X7
dimethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: BIM-0039303.P001|DIMETHYL 2-{[(2E)-3-(3,4-DIMETHOXYPHENYL)-2-PROPENOYL]AMINO}-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE|(E)-dimethyl 2-(3-(3,4-dimethoxyphenyl)acrylamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|dimethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|dimethyl 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|methyl 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-3-(methoxycarbonyl)-4 ,5,6-trihydrocyclopenta[3,2-b]thiophene-4-carboxylate
| Molecular Formula | C22H23NO7S |
|---|---|
| Molecular Weight | 445.11954 g/mol |
| LogP | 3.4066 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.11954 |
| Monoisotopic Mass | 445.11954 |
| Heavy Atoms | 31 |
| Complexity | 1040.7207 |
Chemical Identifiers
| CAS Number | 302802-63-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)OC |
Product Overview
AC1NT5X7 (CAS 302802-63-7), with molecular formula C22H23NO7S and molecular weight 445.11954 g/mol. IUPAC: dimethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
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