AI54903
681850-03-3 | 4,6-Dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI54903
ChemicalName
4,6-Dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CasNumber
681850-03-3
MolecularFormula
C14H12N2O2S
MolecularWeight
272.3223
MdlNumber
MFCD03764316
Smiles
Cc1cc(C)c2c(n1)sc(c2n1cccc1)C(=O)O
Complexity
359
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AI54903
ChemicalName: 4,6-Dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CasNumber: 681850-03-3
MolecularFormula: C14H12N2O2S
MolecularWeight: 272.3223
MdlNumber: MFCD03764316
Smiles: Cc1cc(C)c2c(n1)sc(c2n1cccc1)C(=O)O
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AI54903
ChemicalName:
4,6-Dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CasNumber:
681850-03-3
MolecularFormula:
C14H12N2O2S
MolecularWeight:
272.3223
MdlNumber:
MFCD03764316
Smiles:
Cc1cc(C)c2c(n1)sc(c2n1cccc1)C(=O)O
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
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Smiles: OCC1NCCOC1C.Cl
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Smiles:
OCC1NCCOC1C.Cl
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Smiles: COc1ccc(cc1)CNC(C#N)(C)C
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COc1ccc(cc1)CNC(C#N)(C)C
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Smiles: OS(=O)(=O)O.Nc1cccc(c1)O.Nc1cccc(c1)O
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OS(=O)(=O)O.Nc1cccc(c1)O.Nc1cccc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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