AC1NUKXN
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: IFLab1_003279|(E)-2-(3-(4-methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|AE-848/37236031|SR-01000438570-1|F0745-0743|2-[(2E)-3-(4-METHOXYPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID|2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|2-{[3-(4-methoxyphenyl)acryloyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C19H19NO4S |
|---|---|
| Molecular Weight | 357.1035 g/mol |
| LogP | 3.9856 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.1035 |
| Monoisotopic Mass | 357.1035 |
| Heavy Atoms | 25 |
| Complexity | 820.69476 |
Chemical Identifiers
| CAS Number | 312940-84-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O |
Product Overview
AC1NUKXN (CAS 312940-84-4), with molecular formula C19H19NO4S and molecular weight 357.1035 g/mol. IUPAC: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
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