AC1LOOWQ
2-[4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A3634/0154192|2-[4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid|2-(4-((3-chloro-4-fluorophenyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid|2-{4-[(3-CHLORO-4-FLUOROANILINO)CARBOTHIOYL]PIPERAZINO}-8-ETHYL-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID|2-{4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C21H20ClFN6O3S |
|---|---|
| Molecular Weight | 490.09903 g/mol |
| LogP | 2.8211 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.09903 |
| Monoisotopic Mass | 490.09903 |
| Heavy Atoms | 33 |
| Complexity | 1309.135 |
Chemical Identifiers
| CAS Number | 697239-62-6 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC(=C(C=C4)F)Cl)C(=O)O |
Product Overview
AC1LOOWQ (CAS 697239-62-6), with molecular formula C21H20ClFN6O3S and molecular weight 490.09903 g/mol. IUPAC: 2-[4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
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