AI50520
443913-73-3 | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
Manufacturer: A2B Chem
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CatalogNumber
AI50520
ChemicalName
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CasNumber
443913-73-3
MolecularFormula
C22H24BrFN4O2
MolecularWeight
475.3539632
MdlNumber
MFCD07772346
Smiles
COc1cc2c(ncnc2cc1OCC1CCN(CC1)C)Nc1ccc(cc1F)Br
Complexity
539
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
4.9
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CatalogNumber: AI50520
ChemicalName: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CasNumber: 443913-73-3
MolecularFormula: C22H24BrFN4O2
MolecularWeight: 475.3539632
MdlNumber: MFCD07772346
Smiles: COc1cc2c(ncnc2cc1OCC1CCN(CC1)C)Nc1ccc(cc1F)Br
Complexity: 539
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 4.9
CatalogNumber:
AI50520
ChemicalName:
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CasNumber:
443913-73-3
MolecularFormula:
C22H24BrFN4O2
MolecularWeight:
475.3539632
MdlNumber:
MFCD07772346
Smiles:
COc1cc2c(ncnc2cc1OCC1CCN(CC1)C)Nc1ccc(cc1F)Br
Complexity:
539
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
4.9
CatalogNumber: AI50521
ChemicalName: 1-Cyclopentyl-4-(4-nitrophenyl)piperazine
CasNumber: 443915-54-6
MolecularFormula: C15H21N3O2
MolecularWeight: 275.3461
MdlNumber: MFCD10040128
Smiles: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C1CCCC1
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AI50521
ChemicalName:
1-Cyclopentyl-4-(4-nitrophenyl)piperazine
CasNumber:
443915-54-6
MolecularFormula:
C15H21N3O2
MolecularWeight:
275.3461
MdlNumber:
MFCD10040128
Smiles:
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C1CCCC1
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AI50523
ChemicalName: 3,5-Dibromo-4-fluorotoluene
CasNumber: 444-13-3
MolecularFormula: C7H5Br2F
MolecularWeight: 267.921
MdlNumber: MFCD01025611
Smiles: Cc1cc(Br)c(c(c1)Br)F
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
AI50523
ChemicalName:
3,5-Dibromo-4-fluorotoluene
CasNumber:
444-13-3
MolecularFormula:
C7H5Br2F
MolecularWeight:
267.921
MdlNumber:
MFCD01025611
Smiles:
Cc1cc(Br)c(c(c1)Br)F
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cn(nc1C(=O)O)C12CC3CC(C2)CC(C1)C3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cn(nc1C(=O)O)C12CC3CC(C2)CC(C1)C3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__