AB58788
103577-40-8 | 2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
Manufacturer: A2B Chem
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CatalogNumber
AB58788
ChemicalName
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
CasNumber
103577-40-8
MolecularFormula
C16H14F3N3OS
MolecularWeight
353.3620696
MdlNumber
MFCD28016538
Smiles
Cc1c(nccc1OCC(F)(F)F)CSc1nc2c([nH]1)cccc2
Complexity
413
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.2
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CatalogNumber: AB58788
ChemicalName: 2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
CasNumber: 103577-40-8
MolecularFormula: C16H14F3N3OS
MolecularWeight: 353.3620696
MdlNumber: MFCD28016538
Smiles: Cc1c(nccc1OCC(F)(F)F)CSc1nc2c([nH]1)cccc2
Complexity: 413
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.2
CatalogNumber:
AB58788
ChemicalName:
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
CasNumber:
103577-40-8
MolecularFormula:
C16H14F3N3OS
MolecularWeight:
353.3620696
MdlNumber:
MFCD28016538
Smiles:
Cc1c(nccc1OCC(F)(F)F)CSc1nc2c([nH]1)cccc2
Complexity:
413
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccnc(c1C)CSc1nc2c([nH]1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccnc(c1C)CSc1nc2c([nH]1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB58790
ChemicalName: 2-(2-Hydroxyethylamino)nicotinonitrile
CasNumber: 440102-32-9
MolecularFormula: C8H9N3O
MolecularWeight: 163.1766
MdlNumber: MFCD06796285
Smiles: OCCNc1ncccc1C#N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AB58790
ChemicalName:
2-(2-Hydroxyethylamino)nicotinonitrile
CasNumber:
440102-32-9
MolecularFormula:
C8H9N3O
MolecularWeight:
163.1766
MdlNumber:
MFCD06796285
Smiles:
OCCNc1ncccc1C#N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: AB58791
ChemicalName: 2-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid
CasNumber: 849062-07-3
MolecularFormula: C14H12BF3O4
MolecularWeight: 312.0489
MdlNumber: MFCD07369751
Smiles: OB(c1ccccc1COc1ccc(cc1)OC(F)(F)F)O
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AB58791
ChemicalName:
2-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid
CasNumber:
849062-07-3
MolecularFormula:
C14H12BF3O4
MolecularWeight:
312.0489
MdlNumber:
MFCD07369751
Smiles:
OB(c1ccccc1COc1ccc(cc1)OC(F)(F)F)O
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
__