AH85188
934524-10-4 | 2,4-Dichloro-7-tosyl-7h-pyrrolo[2,3-d]pyrimidine
Manufacturer: A2B Chem
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CatalogNumber
AH85188
ChemicalName
2,4-Dichloro-7-tosyl-7h-pyrrolo[2,3-d]pyrimidine
CasNumber
934524-10-4
MolecularFormula
C13H9Cl2N3O2S
MolecularWeight
342.2005
MdlNumber
MFCD13193624
Smiles
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nc(Cl)nc2Cl
Complexity
476
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
4.1
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CatalogNumber: AH85188
ChemicalName: 2,4-Dichloro-7-tosyl-7h-pyrrolo[2,3-d]pyrimidine
CasNumber: 934524-10-4
MolecularFormula: C13H9Cl2N3O2S
MolecularWeight: 342.2005
MdlNumber: MFCD13193624
Smiles: Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nc(Cl)nc2Cl
Complexity: 476
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AH85188
ChemicalName:
2,4-Dichloro-7-tosyl-7h-pyrrolo[2,3-d]pyrimidine
CasNumber:
934524-10-4
MolecularFormula:
C13H9Cl2N3O2S
MolecularWeight:
342.2005
MdlNumber:
MFCD13193624
Smiles:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nc(Cl)nc2Cl
Complexity:
476
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
4.1
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Smiles: CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC3OC[C@H]([C@@H]([C@H]3O)O)O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Complexity: __
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Smiles:
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC3OC[C@H]([C@@H]([C@H]3O)O)O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
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Smiles: C=CCCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
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Smiles:
C=CCCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
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Smiles: N[C@H]1CCCc2c1nccc2.Cl.Cl
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MolecularFormula:
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Smiles:
N[C@H]1CCCc2c1nccc2.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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