AI49005
365996-06-1 | tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI49005
ChemicalName
tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate
CasNumber
365996-06-1
MolecularFormula
C11H15BrN2O2S
MolecularWeight
319.218
MdlNumber
MFCD09951958
Smiles
O=C(N1CCc2c(C1)sc(n2)Br)OC(C)(C)C
Complexity
308
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AI49005
ChemicalName: tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate
CasNumber: 365996-06-1
MolecularFormula: C11H15BrN2O2S
MolecularWeight: 319.218
MdlNumber: MFCD09951958
Smiles: O=C(N1CCc2c(C1)sc(n2)Br)OC(C)(C)C
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI49005
ChemicalName:
tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate
CasNumber:
365996-06-1
MolecularFormula:
C11H15BrN2O2S
MolecularWeight:
319.218
MdlNumber:
MFCD09951958
Smiles:
O=C(N1CCc2c(C1)sc(n2)Br)OC(C)(C)C
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.8
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Smiles: Nc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C
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Nc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C
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Smiles: Brc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C
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Brc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C
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HydrogenBondAcceptorCount:
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Smiles: O=C(N[C@H]1CC[C@@H](C[C@H]1NC(=O)OC(C)(C)C)C(=O)N(C)C)OCc1ccccc1
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H]1CC[C@@H](C[C@H]1NC(=O)OC(C)(C)C)C(=O)N(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__