AH85438
918504-65-1 | Vemurafenib
Manufacturer: A2B Chem
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CatalogNumber
AH85438
ChemicalName
Vemurafenib
CasNumber
918504-65-1
MolecularFormula
C23H18ClF2N3O3S
MolecularWeight
489.9221
MdlNumber
MFCD18074504
Smiles
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F
NscNumber
761431
Complexity
790
Covalently-bondedUnitCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
5
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CatalogNumber: AH85438
ChemicalName: Vemurafenib
CasNumber: 918504-65-1
MolecularFormula: C23H18ClF2N3O3S
MolecularWeight: 489.9221
MdlNumber: MFCD18074504
Smiles: CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F
NscNumber: 761431
Complexity: 790
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 5
CatalogNumber:
AH85438
ChemicalName:
Vemurafenib
CasNumber:
918504-65-1
MolecularFormula:
C23H18ClF2N3O3S
MolecularWeight:
489.9221
MdlNumber:
MFCD18074504
Smiles:
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F
NscNumber:
761431
Complexity:
790
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
5
CatalogNumber: AH85439
ChemicalName: Vrt752271
CasNumber: 869886-67-9
MolecularFormula: C21H22Cl2N4O2
MolecularWeight: 433.331
MdlNumber: MFCD22628898
Smiles: OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AH85439
ChemicalName:
Vrt752271
CasNumber:
869886-67-9
MolecularFormula:
C21H22Cl2N4O2
MolecularWeight:
433.331
MdlNumber:
MFCD22628898
Smiles:
OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1nc(ncc1C)Nc1ccc(cc1Cl)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1nc(ncc1C)Nc1ccc(cc1Cl)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1nc(nc2-c1nc(=O)n(c2=O)C)c1ccc(cc1)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1nc(nc2-c1nc(=O)n(c2=O)C)c1ccc(cc1)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__