AI16308
1251008-96-4 | 8-Benzyl 11-tert-butyl 2-oxo-1,8,11-triazaspiro[5.6]dodecane-8,11-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI16308
ChemicalName
8-Benzyl 11-tert-butyl 2-oxo-1,8,11-triazaspiro[5.6]dodecane-8,11-dicarboxylate
CasNumber
1251008-96-4
MolecularFormula
C22H31N3O5
MolecularWeight
417.4986
MdlNumber
MFCD14581189
Smiles
O=C1CCCC2(N1)CN(CCN(C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity
641
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AI16308
ChemicalName: 8-Benzyl 11-tert-butyl 2-oxo-1,8,11-triazaspiro[5.6]dodecane-8,11-dicarboxylate
CasNumber: 1251008-96-4
MolecularFormula: C22H31N3O5
MolecularWeight: 417.4986
MdlNumber: MFCD14581189
Smiles: O=C1CCCC2(N1)CN(CCN(C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity: 641
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AI16308
ChemicalName:
8-Benzyl 11-tert-butyl 2-oxo-1,8,11-triazaspiro[5.6]dodecane-8,11-dicarboxylate
CasNumber:
1251008-96-4
MolecularFormula:
C22H31N3O5
MolecularWeight:
417.4986
MdlNumber:
MFCD14581189
Smiles:
O=C1CCCC2(N1)CN(CCN(C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity:
641
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCNCC21CCN(CC2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCNCC21CCN(CC2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI16310
ChemicalName: 6-Benzyl 2-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
CasNumber: 1251009-05-8
MolecularFormula: C20H27N3O5
MolecularWeight: 389.4455
MdlNumber: MFCD14581159
Smiles: O=C1NCC2(N(C1)C(=O)OCc1ccccc1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 612
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AI16310
ChemicalName:
6-Benzyl 2-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
CasNumber:
1251009-05-8
MolecularFormula:
C20H27N3O5
MolecularWeight:
389.4455
MdlNumber:
MFCD14581159
Smiles:
O=C1NCC2(N(C1)C(=O)OCc1ccccc1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
612
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC[C@@H]2[C@@H](C1)NCCO2)OC(C)(C)C
Complexity: 288
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC[C@@H]2[C@@H](C1)NCCO2)OC(C)(C)C
Complexity:
288
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6