AI35917
1445951-71-2 | 2-Benzyl 8-tert-butyl 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI35917
ChemicalName
2-Benzyl 8-tert-butyl 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CasNumber
1445951-71-2
MolecularFormula
C22H32N2O5
MolecularWeight
404.4999
MdlNumber
MFCD25509402
Smiles
OCC1CC2(CN1C(=O)OCc1ccccc1)CCN(CC2)C(=O)OC(C)(C)C
Complexity
574
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AI35917
ChemicalName: 2-Benzyl 8-tert-butyl 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CasNumber: 1445951-71-2
MolecularFormula: C22H32N2O5
MolecularWeight: 404.4999
MdlNumber: MFCD25509402
Smiles: OCC1CC2(CN1C(=O)OCc1ccccc1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 574
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AI35917
ChemicalName:
2-Benzyl 8-tert-butyl 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CasNumber:
1445951-71-2
MolecularFormula:
C22H32N2O5
MolecularWeight:
404.4999
MdlNumber:
MFCD25509402
Smiles:
OCC1CC2(CN1C(=O)OCc1ccccc1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
574
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
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Smiles: OCC1CCC2(N1C(=O)OC(C)(C)C)CCN(CC2)C(=O)OCc1ccccc1
Complexity: __
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Smiles:
OCC1CCC2(N1C(=O)OC(C)(C)C)CCN(CC2)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
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RotatableBondCount:
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__
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Smiles: O=C(N1CCC(C1)C1CN(C1)C(=O)OC(C)(C)C)OCc1ccccc1
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Smiles:
O=C(N1CCC(C1)C1CN(C1)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCOC(=O)C1CNCc2n1ncc2
Complexity: __
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HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)C1CNCc2n1ncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__