AC86132
725247-18-7 | Xct790
Manufacturer: A2B Chem
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CatalogNumber
AC86132
ChemicalName
Xct790
CasNumber
725247-18-7
MolecularFormula
C23H13F9N4O3S
MolecularWeight
596.4249
MdlNumber
MFCD08277031
Smiles
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)C(=O)Nc1nnc(s1)C(F)(F)F
Complexity
966
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
40
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
6.6
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CatalogNumber: AC86132
ChemicalName: Xct790
CasNumber: 725247-18-7
MolecularFormula: C23H13F9N4O3S
MolecularWeight: 596.4249
MdlNumber: MFCD08277031
Smiles: N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)C(=O)Nc1nnc(s1)C(F)(F)F
Complexity: 966
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 6.6
CatalogNumber:
AC86132
ChemicalName:
Xct790
CasNumber:
725247-18-7
MolecularFormula:
C23H13F9N4O3S
MolecularWeight:
596.4249
MdlNumber:
MFCD08277031
Smiles:
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)C(=O)Nc1nnc(s1)C(F)(F)F
Complexity:
966
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
6.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)(Oc1ccccc1)[O-].[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-]P(=O)(Oc1ccccc1)[O-].[Mg+2]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc2c(c1)ncn2C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc2c(c1)ncn2C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCC2C(C1)CCNC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCC2C(C1)CCNC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__