AB57677
88606-96-6 | 1-(2-(3-(tert-Butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one maleate
Manufacturer: A2B Chem
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CatalogNumber
AB57677
ChemicalName
1-(2-(3-(tert-Butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one maleate
CasNumber
88606-96-6
MolecularFormula
C21H30FNO7
MolecularWeight
427.4638
MdlNumber
MFCD08276345
Smiles
OC(=O)C=CC(=O)O.CCCC(=O)c1cc(F)ccc1OCC(CNC(C)(C)C)O
Complexity
462
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
4
RotatableBondCount
11
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB57677
ChemicalName: 1-(2-(3-(tert-Butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one maleate
CasNumber: 88606-96-6
MolecularFormula: C21H30FNO7
MolecularWeight: 427.4638
MdlNumber: MFCD08276345
Smiles: OC(=O)C=CC(=O)O.CCCC(=O)c1cc(F)ccc1OCC(CNC(C)(C)C)O
Complexity: 462
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 4
RotatableBondCount: 11
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB57677
ChemicalName:
1-(2-(3-(tert-Butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one maleate
CasNumber:
88606-96-6
MolecularFormula:
C21H30FNO7
MolecularWeight:
427.4638
MdlNumber:
MFCD08276345
Smiles:
OC(=O)C=CC(=O)O.CCCC(=O)c1cc(F)ccc1OCC(CNC(C)(C)C)O
Complexity:
462
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
4
RotatableBondCount:
11
UndefinedAtomStereocenterCount:
1
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Smiles: Fc1c(F)c(F)c(c(c1C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)F)F
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Smiles:
Fc1c(F)c(F)c(c(c1C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)F)F
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__
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Smiles: NC(=N)NC(=N)Nc1ccc(cc1F)F.Cl
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Smiles:
NC(=N)NC(=N)Nc1ccc(cc1F)F.Cl
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OC(c1ccc(cc1)OCC(CNC(C)C)O)COCC1CC1
Complexity: 314
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(c1ccc(cc1)OCC(CNC(C)C)O)COCC1CC1
Complexity:
314
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__