AE35764
1290543-63-3 | PF-3084014
Manufacturer: A2B Chem
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CatalogNumber
AE35764
ChemicalName
PF-3084014
CasNumber
1290543-63-3
MolecularFormula
C27H41F2N5O
MolecularWeight
489.6441
MdlNumber
MFCD19980705
Smiles
CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F
Complexity
685
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
35
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
11
Xlogp3
4.8
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CatalogNumber: AE35764
ChemicalName: PF-3084014
CasNumber: 1290543-63-3
MolecularFormula: C27H41F2N5O
MolecularWeight: 489.6441
MdlNumber: MFCD19980705
Smiles: CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F
Complexity: 685
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 11
Xlogp3: 4.8
CatalogNumber:
AE35764
ChemicalName:
PF-3084014
CasNumber:
1290543-63-3
MolecularFormula:
C27H41F2N5O
MolecularWeight:
489.6441
MdlNumber:
MFCD19980705
Smiles:
CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F
Complexity:
685
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
11
Xlogp3:
4.8
CatalogNumber: AE35765
ChemicalName: Pf-4708671
CasNumber: 1255517-76-0
MolecularFormula: C19H21F3N6
MolecularWeight: 390.4054495999999
MdlNumber: MFCD18086922
Smiles: CCc1cncnc1N1CCN(CC1)Cc1nc2c([nH]1)cc(cc2)C(F)(F)F
Complexity: 510
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AE35765
ChemicalName:
Pf-4708671
CasNumber:
1255517-76-0
MolecularFormula:
C19H21F3N6
MolecularWeight:
390.4054495999999
MdlNumber:
MFCD18086922
Smiles:
CCc1cncnc1N1CCN(CC1)Cc1nc2c([nH]1)cc(cc2)C(F)(F)F
Complexity:
510
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cnc(c(c1)C)c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cnc(c(c1)C)c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(CC(=O)O)(CC(=O)O)O.OCC1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(CC(=O)O)(CC(=O)O)O.OCC1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__