AE11319
1061353-68-1 | Pnd-1186
Manufacturer: A2B Chem
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CatalogNumber
AE11319
ChemicalName
Pnd-1186
CasNumber
1061353-68-1
MolecularFormula
C25H26F3N5O3
MolecularWeight
501.5008
MdlNumber
MFCD28125506
Smiles
CNC(=O)c1ccccc1Nc1cc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCOCC1
Complexity
709
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
7
Xlogp3
4.7
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CatalogNumber: AE11319
ChemicalName: Pnd-1186
CasNumber: 1061353-68-1
MolecularFormula: C25H26F3N5O3
MolecularWeight: 501.5008
MdlNumber: MFCD28125506
Smiles: CNC(=O)c1ccccc1Nc1cc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCOCC1
Complexity: 709
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 7
Xlogp3: 4.7
CatalogNumber:
AE11319
ChemicalName:
Pnd-1186
CasNumber:
1061353-68-1
MolecularFormula:
C25H26F3N5O3
MolecularWeight:
501.5008
MdlNumber:
MFCD28125506
Smiles:
CNC(=O)c1ccccc1Nc1cc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCOCC1
Complexity:
709
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
7
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=O)O[C@H](C(=O)OC(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)O[C@H](C(=O)OC(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CC(OC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)F)n1ccc(=O)[nH]c1=O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(OC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)F)n1ccc(=O)[nH]c1=O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1cccc(c1)Oc1ccc(cn1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1cccc(c1)Oc1ccc(cn1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__