AX18069
98625-26-4 | Bay-K-8644 (S)-(-)-
Manufacturer: A2B Chem
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CatalogNumber
AX18069
ChemicalName
Bay-K-8644 (S)-(-)-
CasNumber
98625-26-4
MolecularFormula
C16H15F3N2O4
MolecularWeight
356.2965
MdlNumber
MFCD00153769
Smiles
COC(=O)C1=C(C)NC(=C([C@H]1c1ccccc1C(F)(F)F)[N+](=O)[O-])C
Complexity
634
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AX18069
ChemicalName: Bay-K-8644 (S)-(-)-
CasNumber: 98625-26-4
MolecularFormula: C16H15F3N2O4
MolecularWeight: 356.2965
MdlNumber: MFCD00153769
Smiles: COC(=O)C1=C(C)NC(=C([C@H]1c1ccccc1C(F)(F)F)[N+](=O)[O-])C
Complexity: 634
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AX18069
ChemicalName:
Bay-K-8644 (S)-(-)-
CasNumber:
98625-26-4
MolecularFormula:
C16H15F3N2O4
MolecularWeight:
356.2965
MdlNumber:
MFCD00153769
Smiles:
COC(=O)C1=C(C)NC(=C([C@H]1c1ccccc1C(F)(F)F)[N+](=O)[O-])C
Complexity:
634
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
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Smiles: C1=CC=NC(=C1)C(C#N)C2=NN=C(C=C2)Cl
Complexity: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC=NC(=C1)C(C#N)C2=NN=C(C=C2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: OC(=O)c1nc2n(c1Cl)cccc2C(F)(F)F
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1nc2n(c1Cl)cccc2C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: CN(CCCNC(=O)C1CCCN1)C.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(CCCNC(=O)C1CCCN1)C.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__