AI31882
1353224-57-3 | (2E)-1-(1-Hydroxynaphthalen-2-yl)-3-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI31882
ChemicalName
(2E)-1-(1-Hydroxynaphthalen-2-yl)-3-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-en-1-one
CasNumber
1353224-57-3
MolecularFormula
C24H23NO3
MolecularWeight
373.4443
MdlNumber
MFCD22574943
Smiles
COc1cc(/C=C/C(=O)c2ccc3c(c2O)cccc3)ccc1N1CCCC1
Complexity
556
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedBondStereocenterCount
1
Xlogp3
5.7
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CatalogNumber: AI31882
ChemicalName: (2E)-1-(1-Hydroxynaphthalen-2-yl)-3-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-en-1-one
CasNumber: 1353224-57-3
MolecularFormula: C24H23NO3
MolecularWeight: 373.4443
MdlNumber: MFCD22574943
Smiles: COc1cc(/C=C/C(=O)c2ccc3c(c2O)cccc3)ccc1N1CCCC1
Complexity: 556
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedBondStereocenterCount: 1
Xlogp3: 5.7
CatalogNumber:
AI31882
ChemicalName:
(2E)-1-(1-Hydroxynaphthalen-2-yl)-3-[3-methoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-en-1-one
CasNumber:
1353224-57-3
MolecularFormula:
C24H23NO3
MolecularWeight:
373.4443
MdlNumber:
MFCD22574943
Smiles:
COc1cc(/C=C/C(=O)c2ccc3c(c2O)cccc3)ccc1N1CCCC1
Complexity:
556
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedBondStereocenterCount:
1
Xlogp3:
5.7
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Smiles: N1CC2=C(C1)CNC2.Br.Br
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Smiles:
N1CC2=C(C1)CNC2.Br.Br
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Smiles: [O-][N+](=O)c1cc(ccc1OCc1ccccc1)C(F)(F)F
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Smiles:
[O-][N+](=O)c1cc(ccc1OCc1ccccc1)C(F)(F)F
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HeavyAtomCount:
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__
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Smiles: O=Cc1ccc(c(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity: __
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UndefinedBondStereocenterCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1ccc(c(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__