AI54757
672308-35-9 | 1-(10-Carboxydecyl)-4-((3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)quinolin-1-ium bromide
Manufacturer: A2B Chem
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CatalogNumber
AI54757
ChemicalName
1-(10-Carboxydecyl)-4-((3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)quinolin-1-ium bromide
CasNumber
672308-35-9
MolecularFormula
C29H35BrN2O2S
MolecularWeight
555.5694
MdlNumber
MFCD28991877
Smiles
[O-]C(=O)CCCCCCCCCCN1C=CC(=Cc2sc3c([n+]2C)cccc3)c2c1cccc2.Br
Complexity
669
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
12
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CatalogNumber: AI54757
ChemicalName: 1-(10-Carboxydecyl)-4-((3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)quinolin-1-ium bromide
CasNumber: 672308-35-9
MolecularFormula: C29H35BrN2O2S
MolecularWeight: 555.5694
MdlNumber: MFCD28991877
Smiles: [O-]C(=O)CCCCCCCCCCN1C=CC(=Cc2sc3c([n+]2C)cccc3)c2c1cccc2.Br
Complexity: 669
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 12
CatalogNumber:
AI54757
ChemicalName:
1-(10-Carboxydecyl)-4-((3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)quinolin-1-ium bromide
CasNumber:
672308-35-9
MolecularFormula:
C29H35BrN2O2S
MolecularWeight:
555.5694
MdlNumber:
MFCD28991877
Smiles:
[O-]C(=O)CCCCCCCCCCN1C=CC(=Cc2sc3c([n+]2C)cccc3)c2c1cccc2.Br
Complexity:
669
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
12
CatalogNumber: AI54758
ChemicalName: 2-Piperidin-4-yl-oxazole-4-carboxylic acid ethyl ester
CasNumber: 672310-05-3
MolecularFormula: C11H16N2O3
MolecularWeight: 224.2563
MdlNumber: MFCD02179430
Smiles: CCOC(=O)c1coc(n1)C1CCNCC1
Complexity: 241
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AI54758
ChemicalName:
2-Piperidin-4-yl-oxazole-4-carboxylic acid ethyl ester
CasNumber:
672310-05-3
MolecularFormula:
C11H16N2O3
MolecularWeight:
224.2563
MdlNumber:
MFCD02179430
Smiles:
CCOC(=O)c1coc(n1)C1CCNCC1
Complexity:
241
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1ccnc(c1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1ccnc(c1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=C(C=NC(=N1)N)CN.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=C(C=NC(=N1)N)CN.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__