AC1LJV44
N-(4-bromophenyl)-2-(propanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: Oprea1_419731|Oprea1_559730|NCGC00098537-01|BAS 00832089|AG-690/12887458|SR-01000439874-1|N-(4-bromophenyl)-2-(propanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide|2-Propionylamino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid|N-(4-bromophenyl)-2-(propionylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide|N-(4-BROMOPHENYL)-2-PROPANAMIDO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE|N-{3-[N-(4-bromophenyl)carbamoyl]-4,5,6,7,8-pentahydrocyclohepta[2,1-d]thiophe n-2-yl}propanamide
| Molecular Formula | C19H21BrN2O2S |
|---|---|
| Molecular Weight | 420.05072 g/mol |
| LogP | 5.3803 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.05072 |
| Monoisotopic Mass | 420.05072 |
| Heavy Atoms | 25 |
| Complexity | 783.4669 |
Chemical Identifiers
| CAS Number | 312949-40-9 |
|---|---|
| SMILES | CCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
AC1LJV44 (CAS 312949-40-9), with molecular formula C19H21BrN2O2S and molecular weight 420.05072 g/mol. IUPAC: N-(4-bromophenyl)-2-(propanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
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