AA25910
1231929-97-7 | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-1,3-benzodiazol-5-yl)pyrimidin-2-amine
Manufacturer: A2B Chem
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CatalogNumber
AA25910
ChemicalName
N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-1,3-benzodiazol-5-yl)pyrimidin-2-amine
CasNumber
1231929-97-7
MolecularFormula
C27H32F2N8
MolecularWeight
506.5934
MdlNumber
MFCD22665744
Smiles
CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F
Complexity
723
Covalently-bondedUnitCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
3.8
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CatalogNumber: AA25910
ChemicalName: N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-1,3-benzodiazol-5-yl)pyrimidin-2-amine
CasNumber: 1231929-97-7
MolecularFormula: C27H32F2N8
MolecularWeight: 506.5934
MdlNumber: MFCD22665744
Smiles: CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F
Complexity: 723
Covalently-bondedUnitCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 3.8
CatalogNumber:
AA25910
ChemicalName:
N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-1,3-benzodiazol-5-yl)pyrimidin-2-amine
CasNumber:
1231929-97-7
MolecularFormula:
C27H32F2N8
MolecularWeight:
506.5934
MdlNumber:
MFCD22665744
Smiles:
CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F
Complexity:
723
Covalently-bondedUnitCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCO[Si](OCC)(OCC)CCCNCC(COC(=O)C=C)O
Complexity: __
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Smiles:
CCO[Si](OCC)(OCC)CCCNCC(COC(=O)C=C)O
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Smiles: OCCc1ccc(cc1)OC(C)(C)C
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Smiles:
OCCc1ccc(cc1)OC(C)(C)C
Complexity:
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CatalogNumber: AA25916
ChemicalName: 1-[4-(Trifluoromethoxy)phenyl]ethylamine
CasNumber: 123195-23-3
MolecularFormula: C9H10F3NO
MolecularWeight: 205.177
MdlNumber: MFCD07784301
Smiles: CC(c1ccc(cc1)OC(F)(F)F)N
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA25916
ChemicalName:
1-[4-(Trifluoromethoxy)phenyl]ethylamine
CasNumber:
123195-23-3
MolecularFormula:
C9H10F3NO
MolecularWeight:
205.177
MdlNumber:
MFCD07784301
Smiles:
CC(c1ccc(cc1)OC(F)(F)F)N
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4