AE94847
170228-81-6 | 3-Azaspiro[5.5]undecane-3,9-dicarboxylic acid 3-(tert-butyl) ester
Manufacturer: A2B Chem
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CatalogNumber
AE94847
ChemicalName
3-Azaspiro[5.5]undecane-3,9-dicarboxylic acid 3-(tert-butyl) ester
CasNumber
170228-81-6
MolecularFormula
C16H27NO4
MolecularWeight
297.3899
MdlNumber
MFCD11042915
Smiles
O=C(N1CCC2(CC1)CCC(CC2)C(=O)O)OC(C)(C)C
Complexity
395
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AE94847
ChemicalName: 3-Azaspiro[5.5]undecane-3,9-dicarboxylic acid 3-(tert-butyl) ester
CasNumber: 170228-81-6
MolecularFormula: C16H27NO4
MolecularWeight: 297.3899
MdlNumber: MFCD11042915
Smiles: O=C(N1CCC2(CC1)CCC(CC2)C(=O)O)OC(C)(C)C
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AE94847
ChemicalName:
3-Azaspiro[5.5]undecane-3,9-dicarboxylic acid 3-(tert-butyl) ester
CasNumber:
170228-81-6
MolecularFormula:
C16H27NO4
MolecularWeight:
297.3899
MdlNumber:
MFCD11042915
Smiles:
O=C(N1CCC2(CC1)CCC(CC2)C(=O)O)OC(C)(C)C
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ccc2c([nH]1)cc[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ccc2c([nH]1)cc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1Br)O[Si](C(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1Br)O[Si](C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE94850
ChemicalName: 6-Chloropyrido[3,4-d]pyrimidin-4(3h)-one
CasNumber: 171178-47-5
MolecularFormula: C7H4ClN3O
MolecularWeight: 181.5792
MdlNumber: MFCD11044635
Smiles: Clc1ncc2c(c1)c(=O)[nH]cn2
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AE94850
ChemicalName:
6-Chloropyrido[3,4-d]pyrimidin-4(3h)-one
CasNumber:
171178-47-5
MolecularFormula:
C7H4ClN3O
MolecularWeight:
181.5792
MdlNumber:
MFCD11044635
Smiles:
Clc1ncc2c(c1)c(=O)[nH]cn2
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.6