AA19210
1146629-75-5 | (4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
Manufacturer: A2B Chem
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CatalogNumber
AA19210
ChemicalName
(4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
CasNumber
1146629-75-5
MolecularFormula
C12H14ClN3O2
MolecularWeight
267.7115
MdlNumber
MFCD29060065
Smiles
O=C(C(C)(C)C)OCn1ccc2c1ncnc2Cl
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AA19210
ChemicalName: (4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
CasNumber: 1146629-75-5
MolecularFormula: C12H14ClN3O2
MolecularWeight: 267.7115
MdlNumber: MFCD29060065
Smiles: O=C(C(C)(C)C)OCn1ccc2c1ncnc2Cl
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AA19210
ChemicalName:
(4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
CasNumber:
1146629-75-5
MolecularFormula:
C12H14ClN3O2
MolecularWeight:
267.7115
MdlNumber:
MFCD29060065
Smiles:
O=C(C(C)(C)C)OCn1ccc2c1ncnc2Cl
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.9
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Smiles: C[Si](C(C)(C)C)(OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1CCCN1)C
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Smiles:
C[Si](C(C)(C)C)(OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1CCCN1)C
Complexity:
__
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Smiles: CS(=O)(=O)O.O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl
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Smiles:
CS(=O)(=O)O.O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl
Complexity:
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Smiles: N=C(NCCCc1[nH]cnc1)NCCC(c1ccc(c(c1)F)F)c1ccccn1
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Smiles:
N=C(NCCCc1[nH]cnc1)NCCC(c1ccc(c(c1)F)F)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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