AI46963
302341-67-9 | tert-Butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI46963
ChemicalName
tert-Butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate
CasNumber
302341-67-9
MolecularFormula
C11H14N2O2S
MolecularWeight
238.3061
MdlNumber
MFCD24468595
Smiles
N#Cc1ccc(s1)CNC(=O)OC(C)(C)C
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AI46963
ChemicalName: tert-Butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate
CasNumber: 302341-67-9
MolecularFormula: C11H14N2O2S
MolecularWeight: 238.3061
MdlNumber: MFCD24468595
Smiles: N#Cc1ccc(s1)CNC(=O)OC(C)(C)C
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AI46963
ChemicalName:
tert-Butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate
CasNumber:
302341-67-9
MolecularFormula:
C11H14N2O2S
MolecularWeight:
238.3061
MdlNumber:
MFCD24468595
Smiles:
N#Cc1ccc(s1)CNC(=O)OC(C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
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Smiles: OC(=O)COc1ccc2c(c1C)oc(=O)c1c2cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
OC(=O)COc1ccc2c(c1C)oc(=O)c1c2cccc1
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Cc1ccc(c(c1)C)CSc1nnc(s1)N
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Smiles:
Cc1ccc(c(c1)C)CSc1nnc(s1)N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1c(OC)cc(cc1OC)c1nc2ccccc2c(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(OC)cc(cc1OC)c1nc2ccccc2c(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__