AE39015
1351961-59-5 | 7-(4-Methoxybenzyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Manufacturer: A2B Chem
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CatalogNumber
AE39015
ChemicalName
7-(4-Methoxybenzyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CasNumber
1351961-59-5
MolecularFormula
C14H14N4O3
MolecularWeight
286.286
MdlNumber
MFCD29039603
Smiles
COc1ccc(cc1)Cn1c(=O)n(C)c(=O)c2c1n[nH]c2
Complexity
422
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AE39015
ChemicalName: 7-(4-Methoxybenzyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CasNumber: 1351961-59-5
MolecularFormula: C14H14N4O3
MolecularWeight: 286.286
MdlNumber: MFCD29039603
Smiles: COc1ccc(cc1)Cn1c(=O)n(C)c(=O)c2c1n[nH]c2
Complexity: 422
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AE39015
ChemicalName:
7-(4-Methoxybenzyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CasNumber:
1351961-59-5
MolecularFormula:
C14H14N4O3
MolecularWeight:
286.286
MdlNumber:
MFCD29039603
Smiles:
COc1ccc(cc1)Cn1c(=O)n(C)c(=O)c2c1n[nH]c2
Complexity:
422
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
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Smiles: NC1CC(C)(C)[15NH]C(C1)(C)C
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Smiles:
NC1CC(C)(C)[15NH]C(C1)(C)C
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Smiles: CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)OC)C(O)(C)C
Complexity: __
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Smiles:
CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)OC)C(O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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Smiles: O=C(N1CCC(CC1)(C1CC1)C(=O)O)OC(C)(C)C
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Smiles:
O=C(N1CCC(CC1)(C1CC1)C(=O)O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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