AV18689
1823269-90-4 | 2-Benzyl 5-tert-butyl 3a-(hydroxymethyl)tetrahydropyrrolo[3,4-c]pyrrole-2,5(1H,3H)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18689
ChemicalName
2-Benzyl 5-tert-butyl 3a-(hydroxymethyl)tetrahydropyrrolo[3,4-c]pyrrole-2,5(1H,3H)-dicarboxylate
CasNumber
1823269-90-4
MolecularFormula
C20H28N2O5
MolecularWeight
376.4467
MdlNumber
MFCD27997327
Smiles
OCC12CN(CC2CN(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity
555
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
2
Xlogp3
1.7
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CatalogNumber: AV18689
ChemicalName: 2-Benzyl 5-tert-butyl 3a-(hydroxymethyl)tetrahydropyrrolo[3,4-c]pyrrole-2,5(1H,3H)-dicarboxylate
CasNumber: 1823269-90-4
MolecularFormula: C20H28N2O5
MolecularWeight: 376.4467
MdlNumber: MFCD27997327
Smiles: OCC12CN(CC2CN(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity: 555
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.7
CatalogNumber:
AV18689
ChemicalName:
2-Benzyl 5-tert-butyl 3a-(hydroxymethyl)tetrahydropyrrolo[3,4-c]pyrrole-2,5(1H,3H)-dicarboxylate
CasNumber:
1823269-90-4
MolecularFormula:
C20H28N2O5
MolecularWeight:
376.4467
MdlNumber:
MFCD27997327
Smiles:
OCC12CN(CC2CN(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity:
555
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Cc1ccc(cc1)S(=O)(=O)O[C@H]1CC2C([C@@]1(C)CC2)(C)C
Complexity: __
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Smiles:
Cc1ccc(cc1)S(=O)(=O)O[C@H]1CC2C([C@@]1(C)CC2)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: Cc1ncsc1CCN.Cl.Cl
Complexity: 87.1
Covalently-bondedUnitCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1ncsc1CCN.Cl.Cl
Complexity:
87.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O=C1Nc2c(C1=Cc1cc3c([nH]1)CCCC3)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Nc2c(C1=Cc1cc3c([nH]1)CCCC3)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__