AB48133
82159-09-9 | 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48133
ChemicalName
2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CasNumber
82159-09-9
MolecularFormula
C15H13NO3S2
MolecularWeight
319.3986
MdlNumber
MFCD00865484
Smiles
CC(=Cc1ccccc1)/C=C/1SC(=S)N(C1=O)CC(=O)O
Complexity
519
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.8
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CatalogNumber: AB48133
ChemicalName: 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CasNumber: 82159-09-9
MolecularFormula: C15H13NO3S2
MolecularWeight: 319.3986
MdlNumber: MFCD00865484
Smiles: CC(=Cc1ccccc1)/C=C/1SC(=S)N(C1=O)CC(=O)O
Complexity: 519
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AB48133
ChemicalName:
2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CasNumber:
82159-09-9
MolecularFormula:
C15H13NO3S2
MolecularWeight:
319.3986
MdlNumber:
MFCD00865484
Smiles:
CC(=Cc1ccccc1)/C=C/1SC(=S)N(C1=O)CC(=O)O
Complexity:
519
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC=CC(=O)C(Cl)(Cl)Cl
Complexity: 160
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC=CC(=O)C(Cl)(Cl)Cl
Complexity:
160
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AB48135
ChemicalName: 3-Fluoro-2-methoxypyridine-5-boronic acid
CasNumber: 856250-60-7
MolecularFormula: C6H7BFNO3
MolecularWeight: 170.9341
MdlNumber: MFCD04112520
Smiles: COc1ncc(cc1F)B(O)O
Complexity: 149
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB48135
ChemicalName:
3-Fluoro-2-methoxypyridine-5-boronic acid
CasNumber:
856250-60-7
MolecularFormula:
C6H7BFNO3
MolecularWeight:
170.9341
MdlNumber:
MFCD04112520
Smiles:
COc1ncc(cc1F)B(O)O
Complexity:
149
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(n1ccnc1C)C
Complexity: 90.9
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(n1ccnc1C)C
Complexity:
90.9
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1