AI37377
1548163-89-8 | Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI37377
ChemicalName
Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
CasNumber
1548163-89-8
MolecularFormula
C12H16BrNO2S
MolecularWeight
318.2299
MdlNumber
MFCD25571078
Smiles
COC(=O)C1CCCN(C1)Cc1scc(c1)Br
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AI37377
ChemicalName: Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
CasNumber: 1548163-89-8
MolecularFormula: C12H16BrNO2S
MolecularWeight: 318.2299
MdlNumber: MFCD25571078
Smiles: COC(=O)C1CCCN(C1)Cc1scc(c1)Br
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AI37377
ChemicalName:
Methyl 1-[(4-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
CasNumber:
1548163-89-8
MolecularFormula:
C12H16BrNO2S
MolecularWeight:
318.2299
MdlNumber:
MFCD25571078
Smiles:
COC(=O)C1CCCN(C1)Cc1scc(c1)Br
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
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Smiles: O[C@H]1C[C@H]2N([C@@H]1CC2)Cc1ccccc1
Complexity: __
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Smiles:
O[C@H]1C[C@H]2N([C@@H]1CC2)Cc1ccccc1
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Smiles: Cc1ccc(cc1)c1c(C)noc1C
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Cc1ccc(cc1)c1c(C)noc1C
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Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])NCc1ccco1
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Smiles:
O=C(Nc1ccc(cc1)[N+](=O)[O-])NCc1ccco1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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