AG64844
59129-79-2 | 2'-Anilino-6'-[ethyl(p-tolyl)amino]-3'-Methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
Manufacturer: A2B Chem
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CatalogNumber
AG64844
ChemicalName
2'-Anilino-6'-[ethyl(p-tolyl)amino]-3'-Methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
CasNumber
59129-79-2
MolecularFormula
C36H30N2O3
MolecularWeight
538.635
MdlNumber
MFCD27977254
Smiles
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)c1ccc(cc1)C
Complexity
913
Covalently-bondedUnitCount
1
HeavyAtomCount
41
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
8.5
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CatalogNumber: AG64844
ChemicalName: 2'-Anilino-6'-[ethyl(p-tolyl)amino]-3'-Methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
CasNumber: 59129-79-2
MolecularFormula: C36H30N2O3
MolecularWeight: 538.635
MdlNumber: MFCD27977254
Smiles: CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)c1ccc(cc1)C
Complexity: 913
Covalently-bondedUnitCount: 1
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 8.5
CatalogNumber:
AG64844
ChemicalName:
2'-Anilino-6'-[ethyl(p-tolyl)amino]-3'-Methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
CasNumber:
59129-79-2
MolecularFormula:
C36H30N2O3
MolecularWeight:
538.635
MdlNumber:
MFCD27977254
Smiles:
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)c1ccc(cc1)C
Complexity:
913
Covalently-bondedUnitCount:
1
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
8.5
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Smiles: [Na]OS(=O)(=O)c1cc(cc(c1O)/N=N/C1C(=NN(C1=O)c1ccccc1)C)[N+](=O)[O-]
Complexity: __
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Smiles:
[Na]OS(=O)(=O)c1cc(cc(c1O)/N=N/C1C(=NN(C1=O)c1ccccc1)C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
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__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCCCSC#N
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__
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Smiles:
CCCCSC#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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__
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MolecularFormula: __
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Smiles: COc1cc2c(cc1OC)CC(C2=O)(CC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2c(cc1OC)CC(C2=O)(CC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__