AE46523
1160247-08-4 | 9-Benzyl 2-tert-butyl 2,6,9-triazaspiro-[4.5]decane-2,9-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE46523
ChemicalName
9-Benzyl 2-tert-butyl 2,6,9-triazaspiro-[4.5]decane-2,9-dicarboxylate
CasNumber
1160247-08-4
MolecularFormula
C20H29N3O4
MolecularWeight
375.46195999999986
MdlNumber
MFCD12198544
Smiles
O=C(N1CCNC2(C1)CCN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity
542
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AE46523
ChemicalName: 9-Benzyl 2-tert-butyl 2,6,9-triazaspiro-[4.5]decane-2,9-dicarboxylate
CasNumber: 1160247-08-4
MolecularFormula: C20H29N3O4
MolecularWeight: 375.46195999999986
MdlNumber: MFCD12198544
Smiles: O=C(N1CCNC2(C1)CCN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: 542
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AE46523
ChemicalName:
9-Benzyl 2-tert-butyl 2,6,9-triazaspiro-[4.5]decane-2,9-dicarboxylate
CasNumber:
1160247-08-4
MolecularFormula:
C20H29N3O4
MolecularWeight:
375.46195999999986
MdlNumber:
MFCD12198544
Smiles:
O=C(N1CCNC2(C1)CCN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
542
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: AE46524
ChemicalName: 6-Benzyl 2-tert-butyl 2,6,9-triazaspiro-[4.5]decane-2,6-dicarboxylate
CasNumber: 1160247-10-8
MolecularFormula: C20H29N3O4
MolecularWeight: 375.4619599999999
MdlNumber: MFCD12198546
Smiles: O=C(N1CCNCC21CCN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: 542
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AE46524
ChemicalName:
6-Benzyl 2-tert-butyl 2,6,9-triazaspiro-[4.5]decane-2,6-dicarboxylate
CasNumber:
1160247-10-8
MolecularFormula:
C20H29N3O4
MolecularWeight:
375.4619599999999
MdlNumber:
MFCD12198546
Smiles:
O=C(N1CCNCC21CCN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
542
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
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Smiles: O=C(N1CCCC2(CC1)CCCN2)OCc1ccccc1
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Smiles:
O=C(N1CCCC2(CC1)CCCN2)OCc1ccccc1
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: OCC(C(=O)O)NCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
OCC(C(=O)O)NCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
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