AB72483
356057-34-6 | Darapladib
Manufacturer: A2B Chem
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CatalogNumber
AB72483
ChemicalName
Darapladib
CasNumber
356057-34-6
MolecularFormula
C36H38F4N4O2S
MolecularWeight
666.7711
MdlNumber
MFCD18251452
Smiles
CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
Complexity
1120
Covalently-bondedUnitCount
1
HeavyAtomCount
47
HydrogenBondAcceptorCount
8
RotatableBondCount
13
Xlogp3
7
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CatalogNumber: AB72483
ChemicalName: Darapladib
CasNumber: 356057-34-6
MolecularFormula: C36H38F4N4O2S
MolecularWeight: 666.7711
MdlNumber: MFCD18251452
Smiles: CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
Complexity: 1120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 47
HydrogenBondAcceptorCount: 8
RotatableBondCount: 13
Xlogp3: 7
CatalogNumber:
AB72483
ChemicalName:
Darapladib
CasNumber:
356057-34-6
MolecularFormula:
C36H38F4N4O2S
MolecularWeight:
666.7711
MdlNumber:
MFCD18251452
Smiles:
CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
Complexity:
1120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
47
HydrogenBondAcceptorCount:
8
RotatableBondCount:
13
Xlogp3:
7
CatalogNumber: AB72484
ChemicalName: H-D-Arg-ome 2hcl
CasNumber: 78851-84-0
MolecularFormula: C7H18Cl2N4O2
MolecularWeight: 261.1494
MdlNumber: MFCD00153417
Smiles: COC(=O)[C@@H](CCCNC(=N)N)N.Cl.Cl
Complexity: 189
Covalently-bondedUnitCount: 3
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AB72484
ChemicalName:
H-D-Arg-ome 2hcl
CasNumber:
78851-84-0
MolecularFormula:
C7H18Cl2N4O2
MolecularWeight:
261.1494
MdlNumber:
MFCD00153417
Smiles:
COC(=O)[C@@H](CCCNC(=N)N)N.Cl.Cl
Complexity:
189
Covalently-bondedUnitCount:
3
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)NCCC[C@H](C(=O)O)N.Cl
Complexity: 176
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)NCCC[C@H](C(=O)O)N.Cl
Complexity:
176
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCC(C#N)(CBr)Br
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCC(C#N)(CBr)Br
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4