AA87779
161798-03-4 | Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA87779
ChemicalName
Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
CasNumber
161798-03-4
MolecularFormula
C18H21NO4S
MolecularWeight
347.4286
MdlNumber
MFCD13194811
Smiles
CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C=O)OCC(C)C
Complexity
431
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
6
RotatableBondCount
8
Xlogp3
4.3
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CatalogNumber: AA87779
ChemicalName: Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
CasNumber: 161798-03-4
MolecularFormula: C18H21NO4S
MolecularWeight: 347.4286
MdlNumber: MFCD13194811
Smiles: CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C=O)OCC(C)C
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
RotatableBondCount: 8
Xlogp3: 4.3
CatalogNumber:
AA87779
ChemicalName:
Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
CasNumber:
161798-03-4
MolecularFormula:
C18H21NO4S
MolecularWeight:
347.4286
MdlNumber:
MFCD13194811
Smiles:
CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C=O)OCC(C)C
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
RotatableBondCount:
8
Xlogp3:
4.3
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
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
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
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
RotatableBondCount:
5
Xlogp3:
3.2
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCOC(=O)c1sc(nc1C)c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)c1sc(nc1C)c1ccc(cc1)O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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