AD72568
1353224-67-5 | 3-Hydroxy-2-[3-hydroxy-4-(pyrrolidin-1-yl)phenyl]-6,7-dimethylchromen-4-one
Manufacturer: A2B Chem
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CatalogNumber
AD72568
ChemicalName
3-Hydroxy-2-[3-hydroxy-4-(pyrrolidin-1-yl)phenyl]-6,7-dimethylchromen-4-one
CasNumber
1353224-67-5
MolecularFormula
C21H21NO4
MolecularWeight
351.3957
MdlNumber
MFCD22192467
Smiles
Oc1cc(ccc1N1CCCC1)c1oc2cc(C)c(cc2c(=O)c1O)C
Complexity
583
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
4
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CatalogNumber: AD72568
ChemicalName: 3-Hydroxy-2-[3-hydroxy-4-(pyrrolidin-1-yl)phenyl]-6,7-dimethylchromen-4-one
CasNumber: 1353224-67-5
MolecularFormula: C21H21NO4
MolecularWeight: 351.3957
MdlNumber: MFCD22192467
Smiles: Oc1cc(ccc1N1CCCC1)c1oc2cc(C)c(cc2c(=O)c1O)C
Complexity: 583
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AD72568
ChemicalName:
3-Hydroxy-2-[3-hydroxy-4-(pyrrolidin-1-yl)phenyl]-6,7-dimethylchromen-4-one
CasNumber:
1353224-67-5
MolecularFormula:
C21H21NO4
MolecularWeight:
351.3957
MdlNumber:
MFCD22192467
Smiles:
Oc1cc(ccc1N1CCCC1)c1oc2cc(C)c(cc2c(=O)c1O)C
Complexity:
583
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
4
CatalogNumber: AD72570
ChemicalName: Ethyl 3-bromo-1H-pyrazole-4-carboxylate
CasNumber: 1353100-91-0
MolecularFormula: C6H7BrN2O2
MolecularWeight: 219.036
MdlNumber: MFCD12032195
Smiles: CCOC(=O)c1c[nH]nc1Br
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AD72570
ChemicalName:
Ethyl 3-bromo-1H-pyrazole-4-carboxylate
CasNumber:
1353100-91-0
MolecularFormula:
C6H7BrN2O2
MolecularWeight:
219.036
MdlNumber:
MFCD12032195
Smiles:
CCOC(=O)c1c[nH]nc1Br
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
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Smiles: CC(=O)O.NCc1nnc([nH]c1=O)N
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CC(=O)O.NCc1nnc([nH]c1=O)N
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Smiles: NCC(C1(O)CCCCC1)c1ccc(cc1)O.Cl
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Smiles:
NCC(C1(O)CCCCC1)c1ccc(cc1)O.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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