AA87780
161798-02-3 | Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA87780
ChemicalName
Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
CasNumber
161798-02-3
MolecularFormula
C14H12N2O3S
MolecularWeight
288.3217
MdlNumber
MFCD15144699
Smiles
CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C#N)O
Complexity
409
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AA87780
ChemicalName: Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
CasNumber: 161798-02-3
MolecularFormula: C14H12N2O3S
MolecularWeight: 288.3217
MdlNumber: MFCD15144699
Smiles: CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C#N)O
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AA87780
ChemicalName:
Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
CasNumber:
161798-02-3
MolecularFormula:
C14H12N2O3S
MolecularWeight:
288.3217
MdlNumber:
MFCD15144699
Smiles:
CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C#N)O
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: AA87781
ChemicalName: Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
CasNumber: 161798-01-2
MolecularFormula: C14H13NO4S
MolecularWeight: 291.3223
MdlNumber: MFCD13194810
Smiles: CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C=O)O
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AA87781
ChemicalName:
Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
CasNumber:
161798-01-2
MolecularFormula:
C14H13NO4S
MolecularWeight:
291.3223
MdlNumber:
MFCD13194810
Smiles:
CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C=O)O
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1sc(nc1C)c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1sc(nc1C)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA87783
ChemicalName: sodium 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazol-1-ide
CasNumber: 161796-78-7
MolecularFormula: C17H18N3NaO3S
MolecularWeight: 367.39788999999996
MdlNumber: MFCD07802816
Smiles: COc1ccc2c(c1)[n-]c(n2)[S@@](=O)Cc1ncc(c(c1C)OC)C.[Na+]
Complexity: 459
Covalently-bondedUnitCount: 2
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AA87783
ChemicalName:
sodium 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazol-1-ide
CasNumber:
161796-78-7
MolecularFormula:
C17H18N3NaO3S
MolecularWeight:
367.39788999999996
MdlNumber:
MFCD07802816
Smiles:
COc1ccc2c(c1)[n-]c(n2)[S@@](=O)Cc1ncc(c(c1C)OC)C.[Na+]
Complexity:
459
Covalently-bondedUnitCount:
2
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
__