AH85291
915087-33-1 | 4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-n-methylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AH85291
ChemicalName
4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-n-methylbenzamide
CasNumber
915087-33-1
MolecularFormula
C21H16F4N4O2S
MolecularWeight
464.436
MdlNumber
MFCD14155804
Smiles
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
Complexity
839
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AH85291
ChemicalName: 4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-n-methylbenzamide
CasNumber: 915087-33-1
MolecularFormula: C21H16F4N4O2S
MolecularWeight: 464.436
MdlNumber: MFCD14155804
Smiles: CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
Complexity: 839
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AH85291
ChemicalName:
4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-n-methylbenzamide
CasNumber:
915087-33-1
MolecularFormula:
C21H16F4N4O2S
MolecularWeight:
464.436
MdlNumber:
MFCD14155804
Smiles:
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
Complexity:
839
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: AH85292
ChemicalName: 1-(5-Bromo-1h-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CasNumber: 866545-96-2
MolecularFormula: C9H7BrN2O
MolecularWeight: 239.0687
MdlNumber: MFCD12403936
Smiles: CC(=O)c1c[nH]c2c1cc(Br)cn2
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AH85292
ChemicalName:
1-(5-Bromo-1h-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CasNumber:
866545-96-2
MolecularFormula:
C9H7BrN2O
MolecularWeight:
239.0687
MdlNumber:
MFCD12403936
Smiles:
CC(=O)c1c[nH]c2c1cc(Br)cn2
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
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Smiles: O=C(C(F)(F)F)N1C2CCC1c1c2cccc1
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Smiles:
O=C(C(F)(F)F)N1C2CCC1c1c2cccc1
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Smiles: CCOC(=O)C(C1=CCOCC1)[N+](=O)[O-]
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Smiles:
CCOC(=O)C(C1=CCOCC1)[N+](=O)[O-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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