AE81393
169274-78-6 | Ro 25-6981
Manufacturer: A2B Chem
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CatalogNumber
AE81393
ChemicalName
Ro 25-6981
CasNumber
169274-78-6
MolecularFormula
C22H29NO2
MolecularWeight
339.4712
MdlNumber
MFCD06798375
Smiles
C[C@H]([C@H](c1ccc(cc1)O)O)CN1CCC(CC1)Cc1ccccc1
Complexity
366
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
25
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
4.2
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CatalogNumber: AE81393
ChemicalName: Ro 25-6981
CasNumber: 169274-78-6
MolecularFormula: C22H29NO2
MolecularWeight: 339.4712
MdlNumber: MFCD06798375
Smiles: C[C@H]([C@H](c1ccc(cc1)O)O)CN1CCC(CC1)Cc1ccccc1
Complexity: 366
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 4.2
CatalogNumber:
AE81393
ChemicalName:
Ro 25-6981
CasNumber:
169274-78-6
MolecularFormula:
C22H29NO2
MolecularWeight:
339.4712
MdlNumber:
MFCD06798375
Smiles:
C[C@H]([C@H](c1ccc(cc1)O)O)CN1CCC(CC1)Cc1ccccc1
Complexity:
366
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(C(=O)O)Cc1cc(cc(c1)c1ccccc1Cl)CP(=O)(O)O.N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(=O)O)Cc1cc(cc(c1)c1ccccc1Cl)CP(=O)(O)O.N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](C(=O)O)Cc1cc(cc(c1)c1ccccc1Cl)CP(=O)(O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](C(=O)O)Cc1cc(cc(c1)c1ccccc1Cl)CP(=O)(O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__