AB94441
889939-56-4 | 6-Boc-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB94441
ChemicalName
6-Boc-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
CasNumber
889939-56-4
MolecularFormula
C13H17NO4S
MolecularWeight
283.34337999999997
MdlNumber
MFCD08098464
Smiles
O=C(N1CCc2c(C1)scc2C(=O)O)OC(C)(C)C
Complexity
379
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AB94441
ChemicalName: 6-Boc-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
CasNumber: 889939-56-4
MolecularFormula: C13H17NO4S
MolecularWeight: 283.34337999999997
MdlNumber: MFCD08098464
Smiles: O=C(N1CCc2c(C1)scc2C(=O)O)OC(C)(C)C
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB94441
ChemicalName:
6-Boc-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
CasNumber:
889939-56-4
MolecularFormula:
C13H17NO4S
MolecularWeight:
283.34337999999997
MdlNumber:
MFCD08098464
Smiles:
O=C(N1CCc2c(C1)scc2C(=O)O)OC(C)(C)C
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AB94442
ChemicalName: 4-Bromo-7H-pyrrolo[2,3-d]pyrimidine
CasNumber: 889939-42-8
MolecularFormula: C6H4BrN3
MolecularWeight: 198.0201
MdlNumber: MFCD08445698
Smiles: Brc1ncnc2c1cc[nH]2
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AB94442
ChemicalName:
4-Bromo-7H-pyrrolo[2,3-d]pyrimidine
CasNumber:
889939-42-8
MolecularFormula:
C6H4BrN3
MolecularWeight:
198.0201
MdlNumber:
MFCD08445698
Smiles:
Brc1ncnc2c1cc[nH]2
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1onc(c1)c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1onc(c1)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(c1)c1noc(c1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1)c1noc(c1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__