AF32565
211513-37-0 | Dalcetrapib
Manufacturer: A2B Chem
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CatalogNumber
AF32565
ChemicalName
Dalcetrapib
CasNumber
211513-37-0
MolecularFormula
C23H35NO2S
MolecularWeight
389.5945
MdlNumber
MFCD06407886
Smiles
CCC(CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C)CC
Complexity
481
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
9
Xlogp3
7.1
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CatalogNumber: AF32565
ChemicalName: Dalcetrapib
CasNumber: 211513-37-0
MolecularFormula: C23H35NO2S
MolecularWeight: 389.5945
MdlNumber: MFCD06407886
Smiles: CCC(CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C)CC
Complexity: 481
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 7.1
CatalogNumber:
AF32565
ChemicalName:
Dalcetrapib
CasNumber:
211513-37-0
MolecularFormula:
C23H35NO2S
MolecularWeight:
389.5945
MdlNumber:
MFCD06407886
Smiles:
CCC(CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C)CC
Complexity:
481
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
7.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)C[C@@H](C(COc1c(F)c(F)cc(c1F)F)O)NC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)C[C@@H](C(COc1c(F)c(F)cc(c1F)F)O)NC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@H](C[C@H]1O[C@@H]2[C@@H]([C@H]1OC)CC(=O)C[C@H]1CC[C@H]3[C@H](O1)[C@@H]1O[C@]4(CC[C@@H]5O[C@@H](CC[C@@H]6O[C@H](C2)C(=C)[C@@H](C6)C)C(=C)C5)O[C@@H]2[C@H](O3)[C@H]1O[C@@H]2C4)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@H](C[C@H]1O[C@@H]2[C@@H]([C@H]1OC)CC(=O)C[C@H]1CC[C@H]3[C@H](O1)[C@@H]1O[C@]4(CC[C@@H]5O[C@@H](CC[C@@H]6O[C@H](C2)C(=C)[C@@H](C6)C)C(=C)C5)O[C@@H]2[C@H](O3)[C@H]1O[C@@H]2C4)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)O.COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)O.COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__