AB35130
287714-41-4 | Rosuvastatin
Manufacturer: A2B Chem
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CatalogNumber
AB35130
ChemicalName
Rosuvastatin
CasNumber
287714-41-4
MolecularFormula
C22H28FN3O6S
MolecularWeight
481.5376
MdlNumber
MFCD18783208
Smiles
O[C@@H](C[C@H](CC(=O)O)O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
Complexity
767
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
10
Xlogp3
1.6
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CatalogNumber: AB35130
ChemicalName: Rosuvastatin
CasNumber: 287714-41-4
MolecularFormula: C22H28FN3O6S
MolecularWeight: 481.5376
MdlNumber: MFCD18783208
Smiles: O[C@@H](C[C@H](CC(=O)O)O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
Complexity: 767
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 10
Xlogp3: 1.6
CatalogNumber:
AB35130
ChemicalName:
Rosuvastatin
CasNumber:
287714-41-4
MolecularFormula:
C22H28FN3O6S
MolecularWeight:
481.5376
MdlNumber:
MFCD18783208
Smiles:
O[C@@H](C[C@H](CC(=O)O)O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
Complexity:
767
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
10
Xlogp3:
1.6
CatalogNumber: AB35132
ChemicalName: Methyl 2-chloropyrimidine-5-carboxylate
CasNumber: 287714-35-6
MolecularFormula: C6H5ClN2O2
MolecularWeight: 172.5691
MdlNumber: MFCD08690330
Smiles: COC(=O)c1cnc(nc1)Cl
Complexity: 146
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB35132
ChemicalName:
Methyl 2-chloropyrimidine-5-carboxylate
CasNumber:
287714-35-6
MolecularFormula:
C6H5ClN2O2
MolecularWeight:
172.5691
MdlNumber:
MFCD08690330
Smiles:
COC(=O)c1cnc(nc1)Cl
Complexity:
146
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1c(Br)cccc1Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1c(Br)cccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__