AI34978
1422344-51-1 | tert-Butyl (3aS,9bR)-1H,3H,3aH,4H,5H,9bH-pyrrolo[3,4-c]quinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI34978
ChemicalName
tert-Butyl (3aS,9bR)-1H,3H,3aH,4H,5H,9bH-pyrrolo[3,4-c]quinoline-2-carboxylate
CasNumber
1422344-51-1
MolecularFormula
C16H22N2O2
MolecularWeight
274.35808
MdlNumber
MFCD23378317
Smiles
O=C(N1C[C@H]2[C@@H](C1)c1ccccc1NC2)OC(C)(C)C
Complexity
377
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI34978
ChemicalName: tert-Butyl (3aS,9bR)-1H,3H,3aH,4H,5H,9bH-pyrrolo[3,4-c]quinoline-2-carboxylate
CasNumber: 1422344-51-1
MolecularFormula: C16H22N2O2
MolecularWeight: 274.35808
MdlNumber: MFCD23378317
Smiles: O=C(N1C[C@H]2[C@@H](C1)c1ccccc1NC2)OC(C)(C)C
Complexity: 377
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI34978
ChemicalName:
tert-Butyl (3aS,9bR)-1H,3H,3aH,4H,5H,9bH-pyrrolo[3,4-c]quinoline-2-carboxylate
CasNumber:
1422344-51-1
MolecularFormula:
C16H22N2O2
MolecularWeight:
274.35808
MdlNumber:
MFCD23378317
Smiles:
O=C(N1C[C@H]2[C@@H](C1)c1ccccc1NC2)OC(C)(C)C
Complexity:
377
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: CCOC(=O)C1CNCc2n(C1)ncc2
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CCOC(=O)C1CNCc2n(C1)ncc2
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Smiles: O=C(N1CCc2c(CC1)nc(nc2Cl)S(=O)(=O)C)OCc1ccccc1
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Smiles:
O=C(N1CCc2c(CC1)nc(nc2Cl)S(=O)(=O)C)OCc1ccccc1
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DefinedAtomStereocenterCount:
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RotatableBondCount:
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Smiles: CCOC(=O)C1SC2(CC1=O)CCC2
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)C1SC2(CC1=O)CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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