AE35966
1393466-87-9 | Plx8394
Manufacturer: A2B Chem
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CatalogNumber
AE35966
ChemicalName
Plx8394
CasNumber
1393466-87-9
MolecularFormula
C25H21F3N6O3S
MolecularWeight
542.5328496
MdlNumber
MFCD29472263
Smiles
F[C@@H]1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F
Complexity
976
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
38
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
2.8
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CatalogNumber: AE35966
ChemicalName: Plx8394
CasNumber: 1393466-87-9
MolecularFormula: C25H21F3N6O3S
MolecularWeight: 542.5328496
MdlNumber: MFCD29472263
Smiles: F[C@@H]1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F
Complexity: 976
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.8
CatalogNumber:
AE35966
ChemicalName:
Plx8394
CasNumber:
1393466-87-9
MolecularFormula:
C25H21F3N6O3S
MolecularWeight:
542.5328496
MdlNumber:
MFCD29472263
Smiles:
F[C@@H]1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F
Complexity:
976
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1([2H])C([2H])([2H])C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])N1CC(=O)N2C(C1)c1ccccc1CC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1([2H])C([2H])([2H])C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])N1CC(=O)N2C(C1)c1ccccc1CC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H]1CCN(C1)c1nc2cc(nn2cc1C)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(=O)(=O)C
Complexity: 905
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H]1CCN(C1)c1nc2cc(nn2cc1C)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(=O)(=O)C
Complexity:
905
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1)N(CCCN1C([2H])([2H])C([2H])([2H])N(C(C1([2H])[2H])([2H])[2H])C)c1c(S2)cccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)N(CCCN1C([2H])([2H])C([2H])([2H])N(C(C1([2H])[2H])([2H])[2H])C)c1c(S2)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__