AE62780
1423037-53-9 | 1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole
Manufacturer: A2B Chem
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CatalogNumber
AE62780
ChemicalName
1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole
CasNumber
1423037-53-9
MolecularFormula
C18H19NO3S
MolecularWeight
329.4134
MdlNumber
MFCD23135934
Smiles
OC(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)c1cccs1
Complexity
437
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
3.8
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CatalogNumber: AE62780
ChemicalName: 1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole
CasNumber: 1423037-53-9
MolecularFormula: C18H19NO3S
MolecularWeight: 329.4134
MdlNumber: MFCD23135934
Smiles: OC(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)c1cccs1
Complexity: 437
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.8
CatalogNumber:
AE62780
ChemicalName:
1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole
CasNumber:
1423037-53-9
MolecularFormula:
C18H19NO3S
MolecularWeight:
329.4134
MdlNumber:
MFCD23135934
Smiles:
OC(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)c1cccs1
Complexity:
437
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.8
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Smiles: Brc1cccc2c1c(N)nn2C
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Smiles:
Brc1cccc2c1c(N)nn2C
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Smiles: C1=CN=C(C(=C1C=O)F)N
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Smiles:
C1=CN=C(C(=C1C=O)F)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=C1Nc2c(C1)scc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Nc2c(C1)scc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__