AA61580
139755-85-4 | 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Manufacturer: A2B Chem
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CatalogNumber
AA61580
ChemicalName
5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CasNumber
139755-85-4
MolecularFormula
C23H32N6O5S
MolecularWeight
504.6024
MdlNumber
MFCD00908400
Smiles
CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CCO)C
Complexity
872
Covalently-bondedUnitCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
0.8
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CatalogNumber: AA61580
ChemicalName: 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CasNumber: 139755-85-4
MolecularFormula: C23H32N6O5S
MolecularWeight: 504.6024
MdlNumber: MFCD00908400
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CCO)C
Complexity: 872
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 0.8
CatalogNumber:
AA61580
ChemicalName:
5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CasNumber:
139755-85-4
MolecularFormula:
C23H32N6O5S
MolecularWeight:
504.6024
MdlNumber:
MFCD00908400
Smiles:
CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CCO)C
Complexity:
872
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
0.8
CatalogNumber: AA61581
ChemicalName: Sildenafil
CasNumber: 139755-83-2
MolecularFormula: C22H30N6O4S
MolecularWeight: 474.5764
MdlNumber: MFCD00867528
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C
Complexity: 838
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 1.5
CatalogNumber:
AA61581
ChemicalName:
Sildenafil
CasNumber:
139755-83-2
MolecularFormula:
C22H30N6O4S
MolecularWeight:
474.5764
MdlNumber:
MFCD00867528
Smiles:
CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C
Complexity:
838
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
1.5
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Smiles: NCCCOCC(CO)O
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NCCCOCC(CO)O
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Smiles: Brc1cccc(n1)c1ncccn1
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Brc1cccc(n1)c1ncccn1
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