AG31990
518990-56-2 | 2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG31990
ChemicalName
2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester
CasNumber
518990-56-2
MolecularFormula
C12H17N3O4
MolecularWeight
267.2811
MdlNumber
MFCD10697132
Smiles
O=C(N1CCc2c(C1)c([nH]n2)C(=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: AG31990
ChemicalName: 2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester
CasNumber: 518990-56-2
MolecularFormula: C12H17N3O4
MolecularWeight: 267.2811
MdlNumber: MFCD10697132
Smiles: O=C(N1CCc2c(C1)c([nH]n2)C(=O)O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AG31990
ChemicalName:
2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester
CasNumber:
518990-56-2
MolecularFormula:
C12H17N3O4
MolecularWeight:
267.2811
MdlNumber:
MFCD10697132
Smiles:
O=C(N1CCc2c(C1)c([nH]n2)C(=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: Brc1cc(N)c2c(c1)CCN2
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Brc1cc(N)c2c(c1)CCN2
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Smiles: Brc1ccc2c(c1)c(C)nn2C(=O)OC(C)(C)C
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Brc1ccc2c(c1)c(C)nn2C(=O)OC(C)(C)C
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Smiles: Cc1cnsc1Br
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Cc1cnsc1Br
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HydrogenBondDonorCount:
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