AB20071
21047-89-2 | N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide
Manufacturer: A2B Chem
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CatalogNumber
AB20071
ChemicalName
N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide
CasNumber
21047-89-2
MolecularFormula
C9H11N5O2
MolecularWeight
221.2159
MdlNumber
MFCD16038625
Smiles
O=C(C(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cn2
NscNumber
637538
Complexity
352
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AB20071
ChemicalName: N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide
CasNumber: 21047-89-2
MolecularFormula: C9H11N5O2
MolecularWeight: 221.2159
MdlNumber: MFCD16038625
Smiles: O=C(C(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cn2
NscNumber: 637538
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AB20071
ChemicalName:
N-(6-Oxo-6,7-dihydro-1h-purin-2-yl)isobutyramide
CasNumber:
21047-89-2
MolecularFormula:
C9H11N5O2
MolecularWeight:
221.2159
MdlNumber:
MFCD16038625
Smiles:
O=C(C(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cn2
NscNumber:
637538
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AB20077
ChemicalName: 4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
CasNumber: 21045-62-5
MolecularFormula: C8H12F3NO
MolecularWeight: 195.1822
MdlNumber: MFCD00115108
Smiles: CCN(C=CC(=O)C(F)(F)F)CC
NscNumber: __
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AB20077
ChemicalName:
4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
CasNumber:
21045-62-5
MolecularFormula:
C8H12F3NO
MolecularWeight:
195.1822
MdlNumber:
MFCD00115108
Smiles:
CCN(C=CC(=O)C(F)(F)F)CC
NscNumber:
__
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(c(c(c1)C(F)(F)F)C(=O)O)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(c(c(c1)C(F)(F)F)C(=O)O)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1nc(sc1C)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1nc(sc1C)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__