AF31552
300801-52-9 | 1-(3-Ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)propan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AF31552
ChemicalName
1-(3-Ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)propan-2-one
CasNumber
300801-52-9
MolecularFormula
C13H15NO2S
MolecularWeight
249.3287
MdlNumber
MFCD00624584
Smiles
CCN1C(=CC(=O)C)Sc2c1cc(OC)cc2
Complexity
329
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AF31552
ChemicalName: 1-(3-Ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)propan-2-one
CasNumber: 300801-52-9
MolecularFormula: C13H15NO2S
MolecularWeight: 249.3287
MdlNumber: MFCD00624584
Smiles: CCN1C(=CC(=O)C)Sc2c1cc(OC)cc2
Complexity: 329
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AF31552
ChemicalName:
1-(3-Ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)propan-2-one
CasNumber:
300801-52-9
MolecularFormula:
C13H15NO2S
MolecularWeight:
249.3287
MdlNumber:
MFCD00624584
Smiles:
CCN1C(=CC(=O)C)Sc2c1cc(OC)cc2
Complexity:
329
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1snnc1C)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Complexity: 568
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1snnc1C)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Complexity:
568
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCC/C=C\C(=O)O
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCCCCCC/C=C\C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CC(Cc1ccc2c(c1)occ2)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Cc1ccc2c(c1)occ2)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__