AI63584
947403-75-0 | 1-tert-Butyl 3-ethyl 4-amino-5,6-dihydropyridine-1,3(2H)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI63584
ChemicalName
1-tert-Butyl 3-ethyl 4-amino-5,6-dihydropyridine-1,3(2H)-dicarboxylate
CasNumber
947403-75-0
MolecularFormula
C13H22N2O4
MolecularWeight
270.32478
MdlNumber
MFCD18434501
Smiles
CCOC(=O)C1=C(N)CCN(C1)C(=O)OC(C)(C)C
Complexity
396
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.3
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CatalogNumber: AI63584
ChemicalName: 1-tert-Butyl 3-ethyl 4-amino-5,6-dihydropyridine-1,3(2H)-dicarboxylate
CasNumber: 947403-75-0
MolecularFormula: C13H22N2O4
MolecularWeight: 270.32478
MdlNumber: MFCD18434501
Smiles: CCOC(=O)C1=C(N)CCN(C1)C(=O)OC(C)(C)C
Complexity: 396
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AI63584
ChemicalName:
1-tert-Butyl 3-ethyl 4-amino-5,6-dihydropyridine-1,3(2H)-dicarboxylate
CasNumber:
947403-75-0
MolecularFormula:
C13H22N2O4
MolecularWeight:
270.32478
MdlNumber:
MFCD18434501
Smiles:
CCOC(=O)C1=C(N)CCN(C1)C(=O)OC(C)(C)C
Complexity:
396
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.3
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Smiles: O=C(N1CC(=CC1=O)Br)OC(C)(C)C
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Smiles:
O=C(N1CC(=CC1=O)Br)OC(C)(C)C
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Smiles: COc1cc(C)c(c(c1)C(=O)OC)C#N
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COc1cc(C)c(c(c1)C(=O)OC)C#N
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Smiles: O=C(C(C)(C)C)CCCc1ccccc1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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:
O=C(C(C)(C)C)CCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__