AB44680
77716-11-1 | 4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44680
ChemicalName
4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber
77716-11-1
MolecularFormula
C11H16N2O4
MolecularWeight
240.2557
MdlNumber
MFCD02094544
Smiles
O=C(OC(C)(C)C)Nc1cn(c(c1)C(=O)O)C
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.1
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CatalogNumber: AB44680
ChemicalName: 4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber: 77716-11-1
MolecularFormula: C11H16N2O4
MolecularWeight: 240.2557
MdlNumber: MFCD02094544
Smiles: O=C(OC(C)(C)C)Nc1cn(c(c1)C(=O)O)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.1
CatalogNumber:
AB44680
ChemicalName:
4-tert-Butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber:
77716-11-1
MolecularFormula:
C11H16N2O4
MolecularWeight:
240.2557
MdlNumber:
MFCD02094544
Smiles:
O=C(OC(C)(C)C)Nc1cn(c(c1)C(=O)O)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)n1cncc1
Complexity: 141
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)n1cncc1
Complexity:
141
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)c1nnn[nH]1
Complexity: 215
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)c1nnn[nH]1
Complexity:
215
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: AB44683
ChemicalName: 4-[2-(6-Methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
CasNumber: 700874-72-2
MolecularFormula: C22H19N5O
MolecularWeight: 369.4192
MdlNumber: MFCD12923319
Smiles: Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2
Complexity: 585
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AB44683
ChemicalName:
4-[2-(6-Methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
CasNumber:
700874-72-2
MolecularFormula:
C22H19N5O
MolecularWeight:
369.4192
MdlNumber:
MFCD12923319
Smiles:
Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2
Complexity:
585
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4