AI32291
1357352-35-2 | 6A-Trifluoromethyl-tetrahydro-pyrrolo[3,4-c]pyrrole-2,3a-dicarboxylic acid 2-tert-butyl ester 3a-ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI32291
ChemicalName
6A-Trifluoromethyl-tetrahydro-pyrrolo[3,4-c]pyrrole-2,3a-dicarboxylic acid 2-tert-butyl ester 3a-ethyl ester
CasNumber
1357352-35-2
MolecularFormula
C15H23F3N2O4
MolecularWeight
352.3493
MdlNumber
MFCD22209626
Smiles
CCOC(=O)C12CNCC2(CN(C1)C(=O)OC(C)(C)C)C(F)(F)F
Complexity
532
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
2
Xlogp3
1.5
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CatalogNumber: AI32291
ChemicalName: 6A-Trifluoromethyl-tetrahydro-pyrrolo[3,4-c]pyrrole-2,3a-dicarboxylic acid 2-tert-butyl ester 3a-ethyl ester
CasNumber: 1357352-35-2
MolecularFormula: C15H23F3N2O4
MolecularWeight: 352.3493
MdlNumber: MFCD22209626
Smiles: CCOC(=O)C12CNCC2(CN(C1)C(=O)OC(C)(C)C)C(F)(F)F
Complexity: 532
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.5
CatalogNumber:
AI32291
ChemicalName:
6A-Trifluoromethyl-tetrahydro-pyrrolo[3,4-c]pyrrole-2,3a-dicarboxylic acid 2-tert-butyl ester 3a-ethyl ester
CasNumber:
1357352-35-2
MolecularFormula:
C15H23F3N2O4
MolecularWeight:
352.3493
MdlNumber:
MFCD22209626
Smiles:
CCOC(=O)C12CNCC2(CN(C1)C(=O)OC(C)(C)C)C(F)(F)F
Complexity:
532
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.5
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Smiles: COC(=O)[C@]12CN(C[C@H]1SCCC2=O)Cc1ccccc1
Complexity: __
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Smiles:
COC(=O)[C@]12CN(C[C@H]1SCCC2=O)Cc1ccccc1
Complexity:
__
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__
HeavyAtomCount:
__
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UndefinedAtomStereocenterCount:
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Smiles: CS(=O)(=O)c1ccc2c(c1)CCN2.Cl
Complexity: __
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Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CS(=O)(=O)c1ccc2c(c1)CCN2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CNCc1cnc2n1cccc2.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCc1cnc2n1cccc2.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__