AI56885
83846-83-7 | 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1h,3h)-dione 2,3-dihydroxysuccinate
Manufacturer: A2B Chem
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CatalogNumber
AI56885
ChemicalName
3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1h,3h)-dione 2,3-dihydroxysuccinate
CasNumber
83846-83-7
MolecularFormula
C26H28FN3O9
MolecularWeight
545.5136231999999
MdlNumber
MFCD11864992
Smiles
O[C@H]([C@H](C(=O)O)O)C(=O)O.Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2
Complexity
761
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
HeavyAtomCount
39
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
5
RotatableBondCount
8
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CatalogNumber: AI56885
ChemicalName: 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1h,3h)-dione 2,3-dihydroxysuccinate
CasNumber: 83846-83-7
MolecularFormula: C26H28FN3O9
MolecularWeight: 545.5136231999999
MdlNumber: MFCD11864992
Smiles: O[C@H]([C@H](C(=O)O)O)C(=O)O.Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2
Complexity: 761
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 39
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 5
RotatableBondCount: 8
CatalogNumber:
AI56885
ChemicalName:
3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1h,3h)-dione 2,3-dihydroxysuccinate
CasNumber:
83846-83-7
MolecularFormula:
C26H28FN3O9
MolecularWeight:
545.5136231999999
MdlNumber:
MFCD11864992
Smiles:
O[C@H]([C@H](C(=O)O)O)C(=O)O.Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2
Complexity:
761
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
39
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
5
RotatableBondCount:
8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(n1)c(ccc2)S(=O)(=O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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MolecularFormula:
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Smiles:
Cc1ccc2c(n1)c(ccc2)S(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1NCCc2c1[nH]c1c2cc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C1NCCc2c1[nH]c1c2cc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI56888
ChemicalName: tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate
CasNumber: 838845-52-6
MolecularFormula: C16H21IN2O3
MolecularWeight: 416.254
MdlNumber: MFCD14635742
Smiles: Ic1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 414
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AI56888
ChemicalName:
tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate
CasNumber:
838845-52-6
MolecularFormula:
C16H21IN2O3
MolecularWeight:
416.254
MdlNumber:
MFCD14635742
Smiles:
Ic1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
414
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3