AA94959
176097-24-8 | (Dhq)2aqn
Manufacturer: A2B Chem
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CatalogNumber
AA94959
ChemicalName
(Dhq)2aqn
CasNumber
176097-24-8
MolecularFormula
C54H56N4O6
MolecularWeight
857.0456400000007
MdlNumber
MFCD29075644
Smiles
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CCN1C[C@@H]2CC
Complexity
1520
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
8
HeavyAtomCount
64
HydrogenBondAcceptorCount
10
RotatableBondCount
12
Xlogp3
9.9
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CatalogNumber: AA94959
ChemicalName: (Dhq)2aqn
CasNumber: 176097-24-8
MolecularFormula: C54H56N4O6
MolecularWeight: 857.0456400000007
MdlNumber: MFCD29075644
Smiles: CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CCN1C[C@@H]2CC
Complexity: 1520
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 64
HydrogenBondAcceptorCount: 10
RotatableBondCount: 12
Xlogp3: 9.9
CatalogNumber:
AA94959
ChemicalName:
(Dhq)2aqn
CasNumber:
176097-24-8
MolecularFormula:
C54H56N4O6
MolecularWeight:
857.0456400000007
MdlNumber:
MFCD29075644
Smiles:
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CCN1C[C@@H]2CC
Complexity:
1520
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
64
HydrogenBondAcceptorCount:
10
RotatableBondCount:
12
Xlogp3:
9.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc2c(cc1C)C(C)(C)CCC2(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc2c(cc1C)C(C)(C)CCC2(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA94965
ChemicalName: 3,5-Bis(tert-butyl)benzaldehyde
CasNumber: 17610-00-3
MolecularFormula: C15H22O
MolecularWeight: 218.3346
MdlNumber: MFCD00026298
Smiles: O=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Complexity: 219
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 4.7
CatalogNumber:
AA94965
ChemicalName:
3,5-Bis(tert-butyl)benzaldehyde
CasNumber:
17610-00-3
MolecularFormula:
C15H22O
MolecularWeight:
218.3346
MdlNumber:
MFCD00026298
Smiles:
O=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Complexity:
219
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
4.7