AE15292
1207454-56-5 | 5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
Manufacturer: A2B Chem
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CatalogNumber
AE15292
ChemicalName
5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CasNumber
1207454-56-5
MolecularFormula
C19H14F2N6O
MolecularWeight
380.3509
MdlNumber
MFCD20488024
Smiles
Fc1ccc(cc1)C1Nc2cc(F)cc3c2c(C1c1ncnn1C)n[nH]c3=O
Complexity
654
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
2.3
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CatalogNumber: AE15292
ChemicalName: 5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CasNumber: 1207454-56-5
MolecularFormula: C19H14F2N6O
MolecularWeight: 380.3509
MdlNumber: MFCD20488024
Smiles: Fc1ccc(cc1)C1Nc2cc(F)cc3c2c(C1c1ncnn1C)n[nH]c3=O
Complexity: 654
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.3
CatalogNumber:
AE15292
ChemicalName:
5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CasNumber:
1207454-56-5
MolecularFormula:
C19H14F2N6O
MolecularWeight:
380.3509
MdlNumber:
MFCD20488024
Smiles:
Fc1ccc(cc1)C1Nc2cc(F)cc3c2c(C1c1ncnn1C)n[nH]c3=O
Complexity:
654
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.3
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Smiles: Cc1cnc(cn1)C#C
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Cc1cnc(cn1)C#C
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Smiles: CC(c1cccc(c1n1ccn(c1=[Si]=[Si]=c1n(ccn1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(C)C)C
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Smiles:
CC(c1cccc(c1n1ccn(c1=[Si]=[Si]=c1n(ccn1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: COc1ccc(cc1S(=O)(=O)N)C=O
Complexity: __
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__
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Smiles:
COc1ccc(cc1S(=O)(=O)N)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__