AB43682
5625-40-1 | 3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione
Manufacturer: A2B Chem
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CatalogNumber
AB43682
ChemicalName
3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione
CasNumber
5625-40-1
MolecularFormula
C18H18N2O4
MolecularWeight
326.3465
MdlNumber
MFCD22199837
Smiles
O=C1NC(Cc2ccc(cc2)O)C(=O)NC1Cc1ccc(cc1)O
NscNumber
686960
Complexity
412
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2
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CatalogNumber: AB43682
ChemicalName: 3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione
CasNumber: 5625-40-1
MolecularFormula: C18H18N2O4
MolecularWeight: 326.3465
MdlNumber: MFCD22199837
Smiles: O=C1NC(Cc2ccc(cc2)O)C(=O)NC1Cc1ccc(cc1)O
NscNumber: 686960
Complexity: 412
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2
CatalogNumber:
AB43682
ChemicalName:
3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione
CasNumber:
5625-40-1
MolecularFormula:
C18H18N2O4
MolecularWeight:
326.3465
MdlNumber:
MFCD22199837
Smiles:
O=C1NC(Cc2ccc(cc2)O)C(=O)NC1Cc1ccc(cc1)O
NscNumber:
686960
Complexity:
412
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2
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Smiles: CC1CC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)C(=Cc2ccc(cc2)N=[N+]=[N-])C1
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Smiles:
CC1CC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)C(=Cc2ccc(cc2)N=[N+]=[N-])C1
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Smiles: BrCc1ccc2c(c1)ccc(c2)CBr
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Smiles:
BrCc1ccc2c(c1)ccc(c2)CBr
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: BrCc1cccc(n1)CBr
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1cccc(n1)CBr
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__