AB75253
187164-19-8 | 2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB75253
ChemicalName
2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile
CasNumber
187164-19-8
MolecularFormula
C14H9Cl2N3S2
MolecularWeight
354.2774
MdlNumber
MFCD00953915
Smiles
N#C/C(=C1/SC[C@H](S1)c1ccc(cc1Cl)Cl)/n1cncc1
Complexity
476
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
4
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CatalogNumber: AB75253
ChemicalName: 2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile
CasNumber: 187164-19-8
MolecularFormula: C14H9Cl2N3S2
MolecularWeight: 354.2774
MdlNumber: MFCD00953915
Smiles: N#C/C(=C1/SC[C@H](S1)c1ccc(cc1Cl)Cl)/n1cncc1
Complexity: 476
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AB75253
ChemicalName:
2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile
CasNumber:
187164-19-8
MolecularFormula:
C14H9Cl2N3S2
MolecularWeight:
354.2774
MdlNumber:
MFCD00953915
Smiles:
N#C/C(=C1/SC[C@H](S1)c1ccc(cc1Cl)Cl)/n1cncc1
Complexity:
476
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
4
CatalogNumber: AB75254
ChemicalName: 7,8-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione
CasNumber: 1086-80-2
MolecularFormula: C12H10N4O2
MolecularWeight: 242.2334
MdlNumber: MFCD00005021
Smiles: Cc1cc2nc3c(nc2cc1C)[nH]c(=O)[nH]c3=O
Complexity: 386
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AB75254
ChemicalName:
7,8-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione
CasNumber:
1086-80-2
MolecularFormula:
C12H10N4O2
MolecularWeight:
242.2334
MdlNumber:
MFCD00005021
Smiles:
Cc1cc2nc3c(nc2cc1C)[nH]c(=O)[nH]c3=O
Complexity:
386
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(c(c1)O)/N=N/c1cc(Cl)cc(c1O)S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(c(c1)O)/N=N/c1cc(Cl)cc(c1O)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Lu]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Lu]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__