AD38180
394655-17-5 | alfa-(4-Toluenesulfonyl)-3-methoxybenzylisocyanide
Manufacturer: A2B Chem
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CatalogNumber
AD38180
ChemicalName
alfa-(4-Toluenesulfonyl)-3-methoxybenzylisocyanide
CasNumber
394655-17-5
MolecularFormula
C16H15NO3S
MolecularWeight
301.3602
MdlNumber
MFCD01311739
Smiles
COc1cccc(c1)C(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Complexity
479
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
3
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CatalogNumber: AD38180
ChemicalName: alfa-(4-Toluenesulfonyl)-3-methoxybenzylisocyanide
CasNumber: 394655-17-5
MolecularFormula: C16H15NO3S
MolecularWeight: 301.3602
MdlNumber: MFCD01311739
Smiles: COc1cccc(c1)C(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Complexity: 479
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AD38180
ChemicalName:
alfa-(4-Toluenesulfonyl)-3-methoxybenzylisocyanide
CasNumber:
394655-17-5
MolecularFormula:
C16H15NO3S
MolecularWeight:
301.3602
MdlNumber:
MFCD01311739
Smiles:
COc1cccc(c1)C(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Complexity:
479
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
3
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Smiles: OC(=O)c1cccc(c1N1CCNCC1)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
OC(=O)c1cccc(c1N1CCNCC1)N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: OP(=O)(O)O.*CCO*.CCCCCCCCCCCCOCCCCCCCCCCCC
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
OP(=O)(O)O.*CCO*.CCCCCCCCCCCCOCCCCCCCCCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C=CN=N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1C=CN=N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__