AI30731
134071-44-6 | ((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AI30731
ChemicalName
((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
CasNumber
134071-44-6
MolecularFormula
C21H20Cl2N2O5S
MolecularWeight
483.3649
MdlNumber
MFCD07367827
Smiles
Cc1ccc(cc1)S(=O)(=O)OC[C@H]1CO[C@](O1)(Cn1ccnc1)c1ccc(cc1Cl)Cl
Complexity
700
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
31
HydrogenBondAcceptorCount
6
RotatableBondCount
7
Xlogp3
4.6
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CatalogNumber: AI30731
ChemicalName: ((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
CasNumber: 134071-44-6
MolecularFormula: C21H20Cl2N2O5S
MolecularWeight: 483.3649
MdlNumber: MFCD07367827
Smiles: Cc1ccc(cc1)S(=O)(=O)OC[C@H]1CO[C@](O1)(Cn1ccnc1)c1ccc(cc1Cl)Cl
Complexity: 700
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
RotatableBondCount: 7
Xlogp3: 4.6
CatalogNumber:
AI30731
ChemicalName:
((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
CasNumber:
134071-44-6
MolecularFormula:
C21H20Cl2N2O5S
MolecularWeight:
483.3649
MdlNumber:
MFCD07367827
Smiles:
Cc1ccc(cc1)S(=O)(=O)OC[C@H]1CO[C@](O1)(Cn1ccnc1)c1ccc(cc1Cl)Cl
Complexity:
700
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
RotatableBondCount:
7
Xlogp3:
4.6
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Smiles: Cc1ccc(c(c1)n1nnc(c1c1cccnc1)C(=O)O)F
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Cc1ccc(c(c1)n1nnc(c1c1cccnc1)C(=O)O)F
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Smiles: CCOc1ccc(cc1)Nc1ncccc1S(=O)(=O)N
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Smiles:
CCOc1ccc(cc1)Nc1ncccc1S(=O)(=O)N
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Smiles: CCOC(=O)C1=C(C)NC(=S)NC1c1cc(OC)c(c(c1)OC)OC
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Smiles:
CCOC(=O)C1=C(C)NC(=S)NC1c1cc(OC)c(c(c1)OC)OC
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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