AB24574
244767-67-7 | 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB24574
ChemicalName
4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
CasNumber
244767-67-7
MolecularFormula
C20H19N5
MolecularWeight
329.3984
MdlNumber
MFCD09833899
Smiles
N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)cc(cc1C)C
Complexity
452
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
4.8
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CatalogNumber: AB24574
ChemicalName: 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
CasNumber: 244767-67-7
MolecularFormula: C20H19N5
MolecularWeight: 329.3984
MdlNumber: MFCD09833899
Smiles: N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)cc(cc1C)C
Complexity: 452
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 4.8
CatalogNumber:
AB24574
ChemicalName:
4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
CasNumber:
244767-67-7
MolecularFormula:
C20H19N5
MolecularWeight:
329.3984
MdlNumber:
MFCD09833899
Smiles:
N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)cc(cc1C)C
Complexity:
452
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
4.8
CatalogNumber: AB24575
ChemicalName: 2-tert-Butoxycarbonylamino-5-hydroxy-benzoic acid
CasNumber: 244765-00-2
MolecularFormula: C12H15NO5
MolecularWeight: 253.2512
MdlNumber: MFCD02682196
Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)O)O
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AB24575
ChemicalName:
2-tert-Butoxycarbonylamino-5-hydroxy-benzoic acid
CasNumber:
244765-00-2
MolecularFormula:
C12H15NO5
MolecularWeight:
253.2512
MdlNumber:
MFCD02682196
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)O)O
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: AB24576
ChemicalName: Lithium bis(oxalate)borate
CasNumber: 244761-29-3
MolecularFormula: C4BLiO8
MolecularWeight: 193.79
MdlNumber: MFCD07776904
Smiles: O=C1[O-][B+3]2([O-]C1=O)[O-]C(=O)C(=O)[O-]2.[Li+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB24576
ChemicalName:
Lithium bis(oxalate)borate
CasNumber:
244761-29-3
MolecularFormula:
C4BLiO8
MolecularWeight:
193.79
MdlNumber:
MFCD07776904
Smiles:
O=C1[O-][B+3]2([O-]C1=O)[O-]C(=O)C(=O)[O-]2.[Li+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(=Cc1ccc(o1)[N+](=O)[O-])S(=O)(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(=Cc1ccc(o1)[N+](=O)[O-])S(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__