AB52282
1421372-94-2 | N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1h-indol-3-yl)pyrimidin-2-amine
Manufacturer: A2B Chem
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CatalogNumber
AB52282
ChemicalName
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1h-indol-3-yl)pyrimidin-2-amine
CasNumber
1421372-94-2
MolecularFormula
C20H16FN5O3
MolecularWeight
393.3711
MdlNumber
MFCD28167946
Smiles
COc1cc(F)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Complexity
579
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.7
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CatalogNumber: AB52282
ChemicalName: N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1h-indol-3-yl)pyrimidin-2-amine
CasNumber: 1421372-94-2
MolecularFormula: C20H16FN5O3
MolecularWeight: 393.3711
MdlNumber: MFCD28167946
Smiles: COc1cc(F)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Complexity: 579
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AB52282
ChemicalName:
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1h-indol-3-yl)pyrimidin-2-amine
CasNumber:
1421372-94-2
MolecularFormula:
C20H16FN5O3
MolecularWeight:
393.3711
MdlNumber:
MFCD28167946
Smiles:
COc1cc(F)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Complexity:
579
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(cc1C(F)(F)F)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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Smiles:
O=Cc1ccc(cc1C(F)(F)F)N
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ncc(cc1C(F)(F)F)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
N#Cc1ncc(cc1C(F)(F)F)N
Complexity:
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CatalogNumber: AB52285
ChemicalName: Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate]
CasNumber: 65140-91-2
MolecularFormula: C34H56CaO8P2
MolecularWeight: 694.8292
MdlNumber: MFCD00134698
Smiles: CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]
Complexity: 376
Covalently-bondedUnitCount: 3
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 12
Xlogp3: __
CatalogNumber:
AB52285
ChemicalName:
Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate]
CasNumber:
65140-91-2
MolecularFormula:
C34H56CaO8P2
MolecularWeight:
694.8292
MdlNumber:
MFCD00134698
Smiles:
CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]
Complexity:
376
Covalently-bondedUnitCount:
3
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
12
Xlogp3:
__