AI29845
1314391-59-7 | 7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI29845
ChemicalName
7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylic acid
CasNumber
1314391-59-7
MolecularFormula
C12H17N3O4
MolecularWeight
267.28108000000003
MdlNumber
MFCD23106110
Smiles
O=C(N1CCn2c(C1)ncc2C(=O)O)OC(C)(C)C
Complexity
380
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.3
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CatalogNumber: AI29845
ChemicalName: 7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylic acid
CasNumber: 1314391-59-7
MolecularFormula: C12H17N3O4
MolecularWeight: 267.28108000000003
MdlNumber: MFCD23106110
Smiles: O=C(N1CCn2c(C1)ncc2C(=O)O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AI29845
ChemicalName:
7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylic acid
CasNumber:
1314391-59-7
MolecularFormula:
C12H17N3O4
MolecularWeight:
267.28108000000003
MdlNumber:
MFCD23106110
Smiles:
O=C(N1CCn2c(C1)ncc2C(=O)O)OC(C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: N[C@@H]1CN(C[C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
N[C@@H]1CN(C[C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: COc1cc(C(=O)N)c(c(c1OC)F)N
Complexity: 239
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cc(C(=O)N)c(c(c1OC)F)N
Complexity:
239
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
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Smiles: OCC1(CCN(C1)C(=O)OC(C)(C)C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
OCC1(CCN(C1)C(=O)OC(C)(C)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__