AF31529
301836-43-1 | D4476
Manufacturer: A2B Chem
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CatalogNumber
AF31529
ChemicalName
D4476
CasNumber
301836-43-1
MolecularFormula
C23H18N4O3
MolecularWeight
398.414
MdlNumber
MFCD09037526
Smiles
NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2
Complexity
597
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AF31529
ChemicalName: D4476
CasNumber: 301836-43-1
MolecularFormula: C23H18N4O3
MolecularWeight: 398.414
MdlNumber: MFCD09037526
Smiles: NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2
Complexity: 597
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AF31529
ChemicalName:
D4476
CasNumber:
301836-43-1
MolecularFormula:
C23H18N4O3
MolecularWeight:
398.414
MdlNumber:
MFCD09037526
Smiles:
NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2
Complexity:
597
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1[C@H](OP(=O)(O)[O-])[C@H](OP(=O)(O)[O-])[C@@H]([C@H]([C@@H]1O)O)O.[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O[C@H]1[C@H](OP(=O)(O)[O-])[C@H](OP(=O)(O)[O-])[C@@H]([C@H]([C@@H]1O)O)O.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCc1c[nH]c2c1cc(O)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCc1c[nH]c2c1cc(O)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC[C@@H](/C=C/[C@@H]1[C@@H](O)C[C@H]([C@@H]1CC=CCCCC(=O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC[C@@H](/C=C/[C@@H]1[C@@H](O)C[C@H]([C@@H]1CC=CCCCC(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__