AB46629
4005-49-6 | N-(9H-Purin-6-yl)benzamide
Manufacturer: A2B Chem
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CatalogNumber
AB46629
ChemicalName
N-(9H-Purin-6-yl)benzamide
CasNumber
4005-49-6
MolecularFormula
C12H9N5O
MolecularWeight
239.2328
MdlNumber
MFCD00037927
Smiles
O=C(c1ccccc1)NC1=NC=NC2=NC=NC12
NscNumber
98641
Complexity
305
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB46629
ChemicalName: N-(9H-Purin-6-yl)benzamide
CasNumber: 4005-49-6
MolecularFormula: C12H9N5O
MolecularWeight: 239.2328
MdlNumber: MFCD00037927
Smiles: O=C(c1ccccc1)NC1=NC=NC2=NC=NC12
NscNumber: 98641
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB46629
ChemicalName:
N-(9H-Purin-6-yl)benzamide
CasNumber:
4005-49-6
MolecularFormula:
C12H9N5O
MolecularWeight:
239.2328
MdlNumber:
MFCD00037927
Smiles:
O=C(c1ccccc1)NC1=NC=NC2=NC=NC12
NscNumber:
98641
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(ON1C(=O)CCC1=O)OCc1ccccc1
NscNumber: __
Complexity: 332
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(ON1C(=O)CCC1=O)OCc1ccccc1
NscNumber:
__
Complexity:
332
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AB46631
ChemicalName: N-(Diphenylmethylene)aminoacetonitrile
CasNumber: 70591-20-7
MolecularFormula: C15H12N2
MolecularWeight: 220.2692
MdlNumber: MFCD00009970
Smiles: N#CCN=C(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AB46631
ChemicalName:
N-(Diphenylmethylene)aminoacetonitrile
CasNumber:
70591-20-7
MolecularFormula:
C15H12N2
MolecularWeight:
220.2692
MdlNumber:
MFCD00009970
Smiles:
N#CCN=C(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CN=C(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 306
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CN=C(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
306
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8