AI69027
1133819-87-0 | 5-(4-(2-(3-Methoxyphenyl)-2-oxoethoxy)benzyl)thiazolidine-2,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AI69027
ChemicalName
5-(4-(2-(3-Methoxyphenyl)-2-oxoethoxy)benzyl)thiazolidine-2,4-dione
CasNumber
1133819-87-0
MolecularFormula
C19H17NO5S
MolecularWeight
371.407
MdlNumber
MFCD28502493
Smiles
COc1cccc(c1)C(=O)COc1ccc(cc1)CC1SC(=O)NC1=O
Complexity
532
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
3.4
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CatalogNumber: AI69027
ChemicalName: 5-(4-(2-(3-Methoxyphenyl)-2-oxoethoxy)benzyl)thiazolidine-2,4-dione
CasNumber: 1133819-87-0
MolecularFormula: C19H17NO5S
MolecularWeight: 371.407
MdlNumber: MFCD28502493
Smiles: COc1cccc(c1)C(=O)COc1ccc(cc1)CC1SC(=O)NC1=O
Complexity: 532
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.4
CatalogNumber:
AI69027
ChemicalName:
5-(4-(2-(3-Methoxyphenyl)-2-oxoethoxy)benzyl)thiazolidine-2,4-dione
CasNumber:
1133819-87-0
MolecularFormula:
C19H17NO5S
MolecularWeight:
371.407
MdlNumber:
MFCD28502493
Smiles:
COc1cccc(c1)C(=O)COc1ccc(cc1)CC1SC(=O)NC1=O
Complexity:
532
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(Cc1ccc(cc1Cl)Cl)N
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(Cc1ccc(cc1Cl)Cl)N
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=S)c1ccnc(c1)OCC1CC1
Complexity: 218
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=S)c1ccnc(c1)OCC1CC1
Complexity:
218
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc([N+](=O)[O-])c(cc1F)NC(=O)C
Complexity: 281
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc([N+](=O)[O-])c(cc1F)NC(=O)C
Complexity:
281
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9