AV18367
1402694-33-0 | Methyl 2-oxo-4-(4,4,4-trifluoro-3-oxobutyl)-1,2,3,4-tetrahydroquinoline-8-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18367
ChemicalName
Methyl 2-oxo-4-(4,4,4-trifluoro-3-oxobutyl)-1,2,3,4-tetrahydroquinoline-8-carboxylate
CasNumber
1402694-33-0
MolecularFormula
C15H14F3NO4
MolecularWeight
329.2712
MdlNumber
MFCD13172455
Smiles
COC(=O)c1cccc2c1NC(=O)CC2CCC(=O)C(F)(F)F
Complexity
492
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AV18367
ChemicalName: Methyl 2-oxo-4-(4,4,4-trifluoro-3-oxobutyl)-1,2,3,4-tetrahydroquinoline-8-carboxylate
CasNumber: 1402694-33-0
MolecularFormula: C15H14F3NO4
MolecularWeight: 329.2712
MdlNumber: MFCD13172455
Smiles: COC(=O)c1cccc2c1NC(=O)CC2CCC(=O)C(F)(F)F
Complexity: 492
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AV18367
ChemicalName:
Methyl 2-oxo-4-(4,4,4-trifluoro-3-oxobutyl)-1,2,3,4-tetrahydroquinoline-8-carboxylate
CasNumber:
1402694-33-0
MolecularFormula:
C15H14F3NO4
MolecularWeight:
329.2712
MdlNumber:
MFCD13172455
Smiles:
COC(=O)c1cccc2c1NC(=O)CC2CCC(=O)C(F)(F)F
Complexity:
492
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(Cc1ccc(cc1)F)CC(=O)O
Complexity: 259
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C(Cc1ccc(cc1)F)CC(=O)O
Complexity:
259
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C(C(OC1=O)CO)O)O
Complexity: __
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__
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__
MolecularFormula:
__
MolecularWeight:
__
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__
Smiles:
CC1(C(C(OC1=O)CO)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Brc1cnc(nc1)N1CCNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc(nc1)N1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__