AC1NBC1S
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: AG-205/10432019|2-AMINO-1-(4-CHLOROPHENYL)-7,7-DIMETHYL-5-OXO-4-(3-THIENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE|2-Amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile|648-241-6
| Molecular Formula | C22H20ClN3OS |
|---|---|
| Molecular Weight | 409.10156 g/mol |
| LogP | 5.34238 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.10156 |
| Monoisotopic Mass | 409.10156 |
| Heavy Atoms | 28 |
| Complexity | 1042.451 |
Chemical Identifiers
| CAS Number | 311331-24-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CSC=C4)C(=O)C1)C |
Product Overview
AC1NBC1S (CAS 311331-24-5), with molecular formula C22H20ClN3OS and molecular weight 409.10156 g/mol. IUPAC: 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
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