AI53664
61338-13-4 | 1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine
Manufacturer: A2B Chem
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CatalogNumber
AI53664
ChemicalName
1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine
CasNumber
61338-13-4
MolecularFormula
C17H19N3O2
MolecularWeight
297.3517
MdlNumber
MFCD08458719
Smiles
CN1CCN(C(C1)c1ccccc1)c1ncccc1C(=O)O
Complexity
384
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AI53664
ChemicalName: 1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine
CasNumber: 61338-13-4
MolecularFormula: C17H19N3O2
MolecularWeight: 297.3517
MdlNumber: MFCD08458719
Smiles: CN1CCN(C(C1)c1ccccc1)c1ncccc1C(=O)O
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AI53664
ChemicalName:
1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine
CasNumber:
61338-13-4
MolecularFormula:
C17H19N3O2
MolecularWeight:
297.3517
MdlNumber:
MFCD08458719
Smiles:
CN1CCN(C(C1)c1ccccc1)c1ncccc1C(=O)O
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
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Smiles: N[C@H]1CCc2c1cccc2
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Smiles:
N[C@H]1CCc2c1cccc2
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Smiles: OC(=O)C1CCc2c1ccc(c2)N
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Smiles:
OC(=O)C1CCc2c1ccc(c2)N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C#CCCCO[Si](C(C)(C)C)(C)C
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
C#CCCCO[Si](C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__