AC42462
821785-76-6 | 6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester
Manufacturer: A2B Chem
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CatalogNumber
AC42462
ChemicalName
6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester
CasNumber
821785-76-6
MolecularFormula
C12H17N3O4
MolecularWeight
267.2811
MdlNumber
MFCD10566759
Smiles
O=C(N1CCc2c(C1)[nH]nc2C(=O)O)OC(C)(C)C
Complexity
380
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AC42462
ChemicalName: 6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester
CasNumber: 821785-76-6
MolecularFormula: C12H17N3O4
MolecularWeight: 267.2811
MdlNumber: MFCD10566759
Smiles: O=C(N1CCc2c(C1)[nH]nc2C(=O)O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AC42462
ChemicalName:
6H-Pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester
CasNumber:
821785-76-6
MolecularFormula:
C12H17N3O4
MolecularWeight:
267.2811
MdlNumber:
MFCD10566759
Smiles:
O=C(N1CCc2c(C1)[nH]nc2C(=O)O)OC(C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.8
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Smiles: O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: __
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Smiles:
O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NC1(CC1(F)F)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NC1(CC1(F)F)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1Cc2c(C1)cn[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
N1Cc2c(C1)cn[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__