AE62201
1353224-61-9 | 3-Hydroxy-2-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]benzo[h]chromen-4-one
Manufacturer: A2B Chem
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CatalogNumber
AE62201
ChemicalName
3-Hydroxy-2-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]benzo[h]chromen-4-one
CasNumber
1353224-61-9
MolecularFormula
C24H21NO4
MolecularWeight
387.4278
MdlNumber
MFCD22689094
Smiles
COc1cc(ccc1N1CCCC1)c1oc2c(c(=O)c1O)ccc1c2cccc1
Complexity
655
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.9
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CatalogNumber: AE62201
ChemicalName: 3-Hydroxy-2-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]benzo[h]chromen-4-one
CasNumber: 1353224-61-9
MolecularFormula: C24H21NO4
MolecularWeight: 387.4278
MdlNumber: MFCD22689094
Smiles: COc1cc(ccc1N1CCCC1)c1oc2c(c(=O)c1O)ccc1c2cccc1
Complexity: 655
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.9
CatalogNumber:
AE62201
ChemicalName:
3-Hydroxy-2-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]benzo[h]chromen-4-one
CasNumber:
1353224-61-9
MolecularFormula:
C24H21NO4
MolecularWeight:
387.4278
MdlNumber:
MFCD22689094
Smiles:
COc1cc(ccc1N1CCCC1)c1oc2c(c(=O)c1O)ccc1c2cccc1
Complexity:
655
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.9
CatalogNumber: AE62202
ChemicalName: 1-BOC-2,3-Dihydropyrrole-4-boronic acid, pinacol ester
CasNumber: 1401165-14-7
MolecularFormula: C15H26BNO4
MolecularWeight: 295.18224
MdlNumber: MFCD16996221
Smiles: O=C(N1CCC(=C1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 449
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AE62202
ChemicalName:
1-BOC-2,3-Dihydropyrrole-4-boronic acid, pinacol ester
CasNumber:
1401165-14-7
MolecularFormula:
C15H26BNO4
MolecularWeight:
295.18224
MdlNumber:
MFCD16996221
Smiles:
O=C(N1CCC(=C1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
449
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AE62203
ChemicalName: Methyl 3-(4-cyano-3-fluorophenyl)-5-fluorobenzoate
CasNumber: 1393441-84-3
MolecularFormula: C15H9F2NO2
MolecularWeight: 273.2343
MdlNumber: MFCD22383719
Smiles: COC(=O)c1cc(F)cc(c1)c1ccc(c(c1)F)C#N
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AE62203
ChemicalName:
Methyl 3-(4-cyano-3-fluorophenyl)-5-fluorobenzoate
CasNumber:
1393441-84-3
MolecularFormula:
C15H9F2NO2
MolecularWeight:
273.2343
MdlNumber:
MFCD22383719
Smiles:
COC(=O)c1cc(F)cc(c1)c1ccc(c(c1)F)C#N
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1Cl)c1ccco1
Complexity: 257
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1Cl)c1ccco1
Complexity:
257
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1