AE62725
1414079-57-4 | (2E)-3-[3-Hydroxy-4-(pyrrolidin-1-yl)phenyl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AE62725
ChemicalName
(2E)-3-[3-Hydroxy-4-(pyrrolidin-1-yl)phenyl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
CasNumber
1414079-57-4
MolecularFormula
C23H21NO3
MolecularWeight
359.4177
MdlNumber
MFCD22574942
Smiles
Oc1cc(/C=C/C(=O)c2ccc3c(c2O)cccc3)ccc1N1CCCC1
Complexity
542
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
5.4
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CatalogNumber: AE62725
ChemicalName: (2E)-3-[3-Hydroxy-4-(pyrrolidin-1-yl)phenyl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
CasNumber: 1414079-57-4
MolecularFormula: C23H21NO3
MolecularWeight: 359.4177
MdlNumber: MFCD22574942
Smiles: Oc1cc(/C=C/C(=O)c2ccc3c(c2O)cccc3)ccc1N1CCCC1
Complexity: 542
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 5.4
CatalogNumber:
AE62725
ChemicalName:
(2E)-3-[3-Hydroxy-4-(pyrrolidin-1-yl)phenyl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
CasNumber:
1414079-57-4
MolecularFormula:
C23H21NO3
MolecularWeight:
359.4177
MdlNumber:
MFCD22574942
Smiles:
Oc1cc(/C=C/C(=O)c2ccc3c(c2O)cccc3)ccc1N1CCCC1
Complexity:
542
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
5.4
CatalogNumber: AE62726
ChemicalName: 5,5-Dimethylmorpholin-3-one
CasNumber: 127958-62-7
MolecularFormula: C6H11NO2
MolecularWeight: 129.15704
MdlNumber: MFCD10040125
Smiles: O=C1COCC(N1)(C)C
Complexity: 131
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
AE62726
ChemicalName:
5,5-Dimethylmorpholin-3-one
CasNumber:
127958-62-7
MolecularFormula:
C6H11NO2
MolecularWeight:
129.15704
MdlNumber:
MFCD10040125
Smiles:
O=C1COCC(N1)(C)C
Complexity:
131
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: IC1CCNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
IC1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62729
ChemicalName: 3-(4-Iodopyrazol-1-yl)piperidine, HCl
CasNumber: 1393442-38-0
MolecularFormula: C8H13ClIN3
MolecularWeight: 313.5664
MdlNumber: MFCD22383696
Smiles: Ic1cnn(c1)C1CCCNC1.Cl
Complexity: 153
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE62729
ChemicalName:
3-(4-Iodopyrazol-1-yl)piperidine, HCl
CasNumber:
1393442-38-0
MolecularFormula:
C8H13ClIN3
MolecularWeight:
313.5664
MdlNumber:
MFCD22383696
Smiles:
Ic1cnn(c1)C1CCCNC1.Cl
Complexity:
153
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__