AB46619
792173-99-0 | SB-334867 free base
Manufacturer: A2B Chem
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CatalogNumber
AB46619
ChemicalName
SB-334867 free base
CasNumber
792173-99-0
MolecularFormula
C17H13N5O2
MolecularWeight
319.3174
MdlNumber
MFCD06411602
Smiles
O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C
Complexity
462
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB46619
ChemicalName: SB-334867 free base
CasNumber: 792173-99-0
MolecularFormula: C17H13N5O2
MolecularWeight: 319.3174
MdlNumber: MFCD06411602
Smiles: O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C
Complexity: 462
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB46619
ChemicalName:
SB-334867 free base
CasNumber:
792173-99-0
MolecularFormula:
C17H13N5O2
MolecularWeight:
319.3174
MdlNumber:
MFCD06411602
Smiles:
O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C
Complexity:
462
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB46620
ChemicalName: 2-(2-Morpholinoethylamino)pyridine-5-boronic acid, pinacol ester
CasNumber: 943911-64-6
MolecularFormula: C17H28BN3O3
MolecularWeight: 333.2335
MdlNumber: MFCD06797993
Smiles: CC1(C)OB(OC1(C)C)c1ccc(nc1)NCCN1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB46620
ChemicalName:
2-(2-Morpholinoethylamino)pyridine-5-boronic acid, pinacol ester
CasNumber:
943911-64-6
MolecularFormula:
C17H28BN3O3
MolecularWeight:
333.2335
MdlNumber:
MFCD06797993
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(nc1)NCCN1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)[F]CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F
Complexity: 790
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)[F]CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F
Complexity:
790
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCn1cncc1
Complexity: 74.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCn1cncc1
Complexity:
74.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.6