AC1MFR6F
N-[6-tert-butyl-3-[(2-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide
Also Known As: Oprea1_833359|NCGC00099527-01|AP-064/15228817|SR-01000495054-1|N-[6-tert-butyl-3-[(2-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide|N-{6-TERT-BUTYL-3-[(2-ETHOXYPHENYL)CARBAMOYL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL}PYRIDINE-4-CARBOXAMIDE|N-(6-tert-butyl-3-{[(2-ethoxyphenyl)amino]carbonyl}-4,5,6,7-tetrahydro-1-benzothien-2-yl)isonicotinamide|N-{6-tert-butyl-3-[(2-ethoxyanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}isonicotinamide
| Molecular Formula | C27H31N3O3S |
|---|---|
| Molecular Weight | 477.20862 g/mol |
| LogP | 6.1974 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.20862 |
| Monoisotopic Mass | 477.20862 |
| Heavy Atoms | 34 |
| Complexity | 1181.5762 |
Chemical Identifiers
| CAS Number | 407589-99-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=NC=C4 |
Product Overview
AC1MFR6F (CAS 407589-99-5), with molecular formula C27H31N3O3S and molecular weight 477.20862 g/mol. IUPAC: N-[6-tert-butyl-3-[(2-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide.
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