AE66224
1392136-43-4 | Verdinexor
Manufacturer: A2B Chem
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CatalogNumber
AE66224
ChemicalName
Verdinexor
CasNumber
1392136-43-4
MolecularFormula
C18H12F6N6O
MolecularWeight
442.3178992
MdlNumber
MFCD28167840
Smiles
O=C(C=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1ccccn1
Complexity
620
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
4.1
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CatalogNumber: AE66224
ChemicalName: Verdinexor
CasNumber: 1392136-43-4
MolecularFormula: C18H12F6N6O
MolecularWeight: 442.3178992
MdlNumber: MFCD28167840
Smiles: O=C(C=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1ccccn1
Complexity: 620
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.1
CatalogNumber:
AE66224
ChemicalName:
Verdinexor
CasNumber:
1392136-43-4
MolecularFormula:
C18H12F6N6O
MolecularWeight:
442.3178992
MdlNumber:
MFCD28167840
Smiles:
O=C(C=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1ccccn1
Complexity:
620
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCCC(=O)O.N#CCC1(CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F)n1ncc(c1)c1ncnc2c1cc[nH]2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
OC(=O)CCCCC(=O)O.N#CCC1(CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F)n1ncc(c1)c1ncnc2c1cc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)N1CCc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)N1CCc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H](N=C1C(=C1N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)Cc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](N=C1C(=C1N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)Cc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__