AI05065
100840-52-6 | 2-(3-(3,5-Dimethoxyphenoxy)propyl)isoindoline-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AI05065
ChemicalName
2-(3-(3,5-Dimethoxyphenoxy)propyl)isoindoline-1,3-dione
CasNumber
100840-52-6
MolecularFormula
C19H19NO5
MolecularWeight
341.3579
MdlNumber
MFCD29917055
Smiles
COc1cc(OCCCN2C(=O)c3c(C2=O)cccc3)cc(c1)OC
Complexity
446
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
RotatableBondCount
7
Xlogp3
3.5
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CatalogNumber: AI05065
ChemicalName: 2-(3-(3,5-Dimethoxyphenoxy)propyl)isoindoline-1,3-dione
CasNumber: 100840-52-6
MolecularFormula: C19H19NO5
MolecularWeight: 341.3579
MdlNumber: MFCD29917055
Smiles: COc1cc(OCCCN2C(=O)c3c(C2=O)cccc3)cc(c1)OC
Complexity: 446
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 3.5
CatalogNumber:
AI05065
ChemicalName:
2-(3-(3,5-Dimethoxyphenoxy)propyl)isoindoline-1,3-dione
CasNumber:
100840-52-6
MolecularFormula:
C19H19NO5
MolecularWeight:
341.3579
MdlNumber:
MFCD29917055
Smiles:
COc1cc(OCCCN2C(=O)c3c(C2=O)cccc3)cc(c1)OC
Complexity:
446
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
3.5
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Smiles: COC(=O)C(N(S(=O)(=O)C)c1cc(Cl)ccc1Cl)C
Complexity: __
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COC(=O)C(N(S(=O)(=O)C)c1cc(Cl)ccc1Cl)C
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Smiles: [N-]=[N+]=N[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O
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[N-]=[N+]=N[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O
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Smiles: O=C1CCC(N1)C(=O)Nc1ccccc1F
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Smiles:
O=C1CCC(N1)C(=O)Nc1ccccc1F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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