AI16204
1250997-79-5 | 4-Hydroxymethyl-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16204
ChemicalName
4-Hydroxymethyl-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
CasNumber
1250997-79-5
MolecularFormula
C12H19N3O3
MolecularWeight
253.2976
MdlNumber
MFCD17017154
Smiles
OCC1N(CCc2c1[nH]cn2)C(=O)OC(C)(C)C
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
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CatalogNumber: AI16204
ChemicalName: 4-Hydroxymethyl-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
CasNumber: 1250997-79-5
MolecularFormula: C12H19N3O3
MolecularWeight: 253.2976
MdlNumber: MFCD17017154
Smiles: OCC1N(CCc2c1[nH]cn2)C(=O)OC(C)(C)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AI16204
ChemicalName:
4-Hydroxymethyl-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
CasNumber:
1250997-79-5
MolecularFormula:
C12H19N3O3
MolecularWeight:
253.2976
MdlNumber:
MFCD17017154
Smiles:
OCC1N(CCc2c1[nH]cn2)C(=O)OC(C)(C)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
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Smiles: CCOC(=O)C1N(C(=O)OCc2ccccc2)C2C3(C1CC2)CCN(CC3)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
CCOC(=O)C1N(C(=O)OCc2ccccc2)C2C3(C1CC2)CCN(CC3)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: O=C(N1CCC2(CC1)C1CCC2C(C1)C(=O)O)OC(C)(C)C
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Smiles:
O=C(N1CCC2(CC1)C1CCC2C(C1)C(=O)O)OC(C)(C)C
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: OCc1nnc2n1CCN(CC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1nnc2n1CCN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__