AE81527
178606-66-1 | 1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)urea
Manufacturer: A2B Chem
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CatalogNumber
AE81527
ChemicalName
1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)urea
CasNumber
178606-66-1
MolecularFormula
C13H12FN3O3S
MolecularWeight
309.3161
MdlNumber
MFCD00159265
Smiles
O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)S(=O)(=O)N
NscNumber
213841
Complexity
450
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AE81527
ChemicalName: 1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)urea
CasNumber: 178606-66-1
MolecularFormula: C13H12FN3O3S
MolecularWeight: 309.3161
MdlNumber: MFCD00159265
Smiles: O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)S(=O)(=O)N
NscNumber: 213841
Complexity: 450
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AE81527
ChemicalName:
1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)urea
CasNumber:
178606-66-1
MolecularFormula:
C13H12FN3O3S
MolecularWeight:
309.3161
MdlNumber:
MFCD00159265
Smiles:
O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)S(=O)(=O)N
NscNumber:
213841
Complexity:
450
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
1.5
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Smiles: OC(=O)C(F)(F)F.COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OC)N1CCCC1
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OC(=O)C(F)(F)F.COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OC)N1CCCC1
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Smiles: OC[C@@H](c1ccc(c(c1)F)Cl)O
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Smiles:
OC[C@@H](c1ccc(c(c1)F)Cl)O
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RotatableBondCount:
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Smiles: CC(OC(=O)C(C)C)OC(=O)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(OC(=O)C(C)C)OC(=O)Oc1ccc(cc1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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