AA77117
155141-29-0 | (2Z)-but-2-enedioic acid; 5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AA77117
ChemicalName
(2Z)-but-2-enedioic acid; 5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
CasNumber
155141-29-0
MolecularFormula
C22H23N3O7S
MolecularWeight
473.4989
MdlNumber
MFCD03427306
Smiles
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C.OC(=O)C=CC(=O)O
NscNumber
717764
Complexity
588
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
9
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA77117
ChemicalName: (2Z)-but-2-enedioic acid; 5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
CasNumber: 155141-29-0
MolecularFormula: C22H23N3O7S
MolecularWeight: 473.4989
MdlNumber: MFCD03427306
Smiles: O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C.OC(=O)C=CC(=O)O
NscNumber: 717764
Complexity: 588
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA77117
ChemicalName:
(2Z)-but-2-enedioic acid; 5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
CasNumber:
155141-29-0
MolecularFormula:
C22H23N3O7S
MolecularWeight:
473.4989
MdlNumber:
MFCD03427306
Smiles:
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C.OC(=O)C=CC(=O)O
NscNumber:
717764
Complexity:
588
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
1
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Smiles: c1ccc2c(c1)c(/C=C/c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1c(c2/C=C/c2ccc(cc2)N(c2ccccc2)c2ccccc2)cccc1
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Smiles:
c1ccc2c(c1)c(/C=C/c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1c(c2/C=C/c2ccc(cc2)N(c2ccccc2)c2ccccc2)cccc1
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Smiles: FC1(F)CCN(CC1)Cc1ccccc1
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FC1(F)CCN(CC1)Cc1ccccc1
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Smiles: COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl
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Smiles:
COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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