AB08319
198821-22-6 | Merimepodib
Manufacturer: A2B Chem
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CatalogNumber
AB08319
ChemicalName
Merimepodib
CasNumber
198821-22-6
MolecularFormula
C23H24N4O6
MolecularWeight
452.4599
MdlNumber
MFCD09837807
Smiles
COc1cc(ccc1c1cnco1)NC(=O)Nc1cccc(c1)CNC(=O)O[C@@H]1COCC1
Complexity
652
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
8
Xlogp3
2.1
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CatalogNumber: AB08319
ChemicalName: Merimepodib
CasNumber: 198821-22-6
MolecularFormula: C23H24N4O6
MolecularWeight: 452.4599
MdlNumber: MFCD09837807
Smiles: COc1cc(ccc1c1cnco1)NC(=O)Nc1cccc(c1)CNC(=O)O[C@@H]1COCC1
Complexity: 652
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 8
Xlogp3: 2.1
CatalogNumber:
AB08319
ChemicalName:
Merimepodib
CasNumber:
198821-22-6
MolecularFormula:
C23H24N4O6
MolecularWeight:
452.4599
MdlNumber:
MFCD09837807
Smiles:
COc1cc(ccc1c1cnco1)NC(=O)Nc1cccc(c1)CNC(=O)O[C@@H]1COCC1
Complexity:
652
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
8
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=CCCc1cccc(c1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=CCCc1cccc(c1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)CCC1=C2CC[C@]2([C@H]1CCC[C@@H]2O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)CCC1=C2CC[C@]2([C@H]1CCC[C@@H]2O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)COc1ccc(cc1)/C=C/c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)COc1ccc(cc1)/C=C/c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__