AB47520
61413-54-5 | 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB47520
ChemicalName
4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
CasNumber
61413-54-5
MolecularFormula
C16H21NO3
MolecularWeight
275.3428
MdlNumber
MFCD00270906
Smiles
COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
NscNumber
760125
Complexity
341
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AB47520
ChemicalName: 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
CasNumber: 61413-54-5
MolecularFormula: C16H21NO3
MolecularWeight: 275.3428
MdlNumber: MFCD00270906
Smiles: COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
NscNumber: 760125
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AB47520
ChemicalName:
4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
CasNumber:
61413-54-5
MolecularFormula:
C16H21NO3
MolecularWeight:
275.3428
MdlNumber:
MFCD00270906
Smiles:
COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
NscNumber:
760125
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AB47522
ChemicalName: 4,6-Dichloro-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
CasNumber: 98141-42-5
MolecularFormula: C6H4Cl2N4
MolecularWeight: 203.0288
MdlNumber: MFCD09750213
Smiles: Clc1nc(Cl)c2c(n1)n(C)nc2
NscNumber: 7866
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB47522
ChemicalName:
4,6-Dichloro-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
CasNumber:
98141-42-5
MolecularFormula:
C6H4Cl2N4
MolecularWeight:
203.0288
MdlNumber:
MFCD09750213
Smiles:
Clc1nc(Cl)c2c(n1)n(C)nc2
NscNumber:
7866
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: AB47524
ChemicalName: 1-(4-Chlorophenyl)pyrazol-3(2h)-one
CasNumber: 76205-19-1
MolecularFormula: C9H7ClN2O
MolecularWeight: 194.6177
MdlNumber: MFCD08459260
Smiles: Clc1ccc(cc1)n1ccc(n1)O
NscNumber: __
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB47524
ChemicalName:
1-(4-Chlorophenyl)pyrazol-3(2h)-one
CasNumber:
76205-19-1
MolecularFormula:
C9H7ClN2O
MolecularWeight:
194.6177
MdlNumber:
MFCD08459260
Smiles:
Clc1ccc(cc1)n1ccc(n1)O
NscNumber:
__
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)[C@@H](O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)[C@@H](O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__