AC1NPZX9
ethyl 2-[[2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Ethyl 2-({2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acryloyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ETHYL 2-[[2-CYANO-3-[1-(4-IODOPHENYL)-2,5-DIMETHYL-PYRROL-3-YL]PROP-2-ENOYL]AMINO]-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-[[2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|Ethyl 2-{2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H26IN3O3S |
|---|---|
| Molecular Weight | 599.074 g/mol |
| LogP | 6.36142 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 599.074 |
| Monoisotopic Mass | 599.074 |
| Heavy Atoms | 35 |
| Complexity | 1359.689 |
Chemical Identifiers
| CAS Number | 5505-83-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)I)C)C#N |
Product Overview
AC1NPZX9 (CAS 5505-83-9), with molecular formula C27H26IN3O3S and molecular weight 599.074 g/mol. IUPAC: ethyl 2-[[2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
AC1NPZX9 is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »