AA63179
140853-10-7 | Hydroquinidine 1,4-phthalazinediyl ether
Manufacturer: A2B Chem
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CatalogNumber
AA63179
ChemicalName
Hydroquinidine 1,4-phthalazinediyl ether
CasNumber
140853-10-7
MolecularFormula
C48H54N6O4
MolecularWeight
778.9802
MdlNumber
MFCD00198107
Smiles
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)Oc1nnc(c2c1cccc2)O[C@@H](c1ccnc2c1cc(OC)cc2)[C@H]1C[C@@H]2CCN1C[C@@H]2CC
Complexity
1250
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
8
HeavyAtomCount
58
HydrogenBondAcceptorCount
10
RotatableBondCount
12
Xlogp3
8.8
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CatalogNumber: AA63179
ChemicalName: Hydroquinidine 1,4-phthalazinediyl ether
CasNumber: 140853-10-7
MolecularFormula: C48H54N6O4
MolecularWeight: 778.9802
MdlNumber: MFCD00198107
Smiles: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)Oc1nnc(c2c1cccc2)O[C@@H](c1ccnc2c1cc(OC)cc2)[C@H]1C[C@@H]2CCN1C[C@@H]2CC
Complexity: 1250
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 58
HydrogenBondAcceptorCount: 10
RotatableBondCount: 12
Xlogp3: 8.8
CatalogNumber:
AA63179
ChemicalName:
Hydroquinidine 1,4-phthalazinediyl ether
CasNumber:
140853-10-7
MolecularFormula:
C48H54N6O4
MolecularWeight:
778.9802
MdlNumber:
MFCD00198107
Smiles:
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)Oc1nnc(c2c1cccc2)O[C@@H](c1ccnc2c1cc(OC)cc2)[C@H]1C[C@@H]2CCN1C[C@@H]2CC
Complexity:
1250
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
58
HydrogenBondAcceptorCount:
10
RotatableBondCount:
12
Xlogp3:
8.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1O[C@@H](O)[C@H]([C@H]([C@@H]1O)NC(=O)C)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1O[C@@H](O)[C@H]([C@H]([C@@H]1O)NC(=O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H](c1ccco1)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H](c1ccco1)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCn1nc(cc1N)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCn1nc(cc1N)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__