AG20790
5448-16-8 | 3-Methyl-1h-pyrrole 2,4-dicarboxylic acid diethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG20790
ChemicalName
3-Methyl-1h-pyrrole 2,4-dicarboxylic acid diethyl ester
CasNumber
5448-16-8
MolecularFormula
C11H15NO4
MolecularWeight
225.2411
MdlNumber
MFCD00030385
Smiles
CCOC(=O)c1[nH]cc(c1C)C(=O)OCC
NscNumber
17445
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.8
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CatalogNumber: AG20790
ChemicalName: 3-Methyl-1h-pyrrole 2,4-dicarboxylic acid diethyl ester
CasNumber: 5448-16-8
MolecularFormula: C11H15NO4
MolecularWeight: 225.2411
MdlNumber: MFCD00030385
Smiles: CCOC(=O)c1[nH]cc(c1C)C(=O)OCC
NscNumber: 17445
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AG20790
ChemicalName:
3-Methyl-1h-pyrrole 2,4-dicarboxylic acid diethyl ester
CasNumber:
5448-16-8
MolecularFormula:
C11H15NO4
MolecularWeight:
225.2411
MdlNumber:
MFCD00030385
Smiles:
CCOC(=O)c1[nH]cc(c1C)C(=O)OCC
NscNumber:
17445
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.8
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Smiles: COC(=O)c1c(nc(c(c1c1ccc(cc1OCc1ccccc1)F)C(=O)OC)C(C)C)C(C)C
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Smiles:
COC(=O)c1c(nc(c(c1c1ccc(cc1OCc1ccccc1)F)C(=O)OC)C(C)C)C(C)C
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Smiles: O=C1NC(=O)C(N1)c1cn(nc1c1ccc(cc1)F)c1ccccc1
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Smiles:
O=C1NC(=O)C(N1)c1cn(nc1c1ccc(cc1)F)c1ccccc1
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Smiles: CN1CCc2c(C1)sc(n2)C(=O)NC1CC(CCC1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C.Cc1ccc(cc1)S(=O)(=O)O
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HydrogenBondDonorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CN1CCc2c(C1)sc(n2)C(=O)NC1CC(CCC1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C.Cc1ccc(cc1)S(=O)(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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