AI53194
59-58-5 | N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
Manufacturer: A2B Chem
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CatalogNumber
AI53194
ChemicalName
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
CasNumber
59-58-5
MolecularFormula
C15H24N4O2S2
MolecularWeight
356.5067
MdlNumber
MFCD00023265
Smiles
OCC/C(=C(N(Cc1cnc(nc1N)C)C=O)/C)/SSCCC
Complexity
396
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
1.1
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CatalogNumber: AI53194
ChemicalName: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
CasNumber: 59-58-5
MolecularFormula: C15H24N4O2S2
MolecularWeight: 356.5067
MdlNumber: MFCD00023265
Smiles: OCC/C(=C(N(Cc1cnc(nc1N)C)C=O)/C)/SSCCC
Complexity: 396
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 1.1
CatalogNumber:
AI53194
ChemicalName:
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
CasNumber:
59-58-5
MolecularFormula:
C15H24N4O2S2
MolecularWeight:
356.5067
MdlNumber:
MFCD00023265
Smiles:
OCC/C(=C(N(Cc1cnc(nc1N)C)C=O)/C)/SSCCC
Complexity:
396
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C[N+](C)(C)C.Cl
Complexity: 93.1
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-]C(=O)C[N+](C)(C)C.Cl
Complexity:
93.1
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: OC(=O)C[N+](C)(C)C.[OH-]
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C[N+](C)(C)C.[OH-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C[N+](C)(C)C)OC(=O)N.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C[N+](C)(C)C)OC(=O)N.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__