AI54562
65899-73-2 | 1-{2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
Manufacturer: A2B Chem
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CatalogNumber
AI54562
ChemicalName
1-{2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
CasNumber
65899-73-2
MolecularFormula
C16H13Cl3N2OS
MolecularWeight
387.7112
MdlNumber
MFCD00057276
Smiles
Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1ccsc1Cl
NscNumber
759169
Complexity
379
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
5.3
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CatalogNumber: AI54562
ChemicalName: 1-{2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
CasNumber: 65899-73-2
MolecularFormula: C16H13Cl3N2OS
MolecularWeight: 387.7112
MdlNumber: MFCD00057276
Smiles: Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1ccsc1Cl
NscNumber: 759169
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 5.3
CatalogNumber:
AI54562
ChemicalName:
1-{2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
CasNumber:
65899-73-2
MolecularFormula:
C16H13Cl3N2OS
MolecularWeight:
387.7112
MdlNumber:
MFCD00057276
Smiles:
Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1ccsc1Cl
NscNumber:
759169
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
5.3
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Smiles: FC(COB(OCC(F)(F)F)OCC(F)(F)F)(F)F
NscNumber: __
Complexity: 217
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
FC(COB(OCC(F)(F)F)OCC(F)(F)F)(F)F
NscNumber:
__
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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Smiles: COc1cc(cc(c1OC)OC)C(c1ccccc1)O
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Smiles:
COc1cc(cc(c1OC)OC)C(c1ccccc1)O
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Smiles: OS(=O)(=O)O.C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.O.O
NscNumber: __
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__