AA59133
138890-62-7 | Brinzolamide
Manufacturer: A2B Chem
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CatalogNumber
AA59133
ChemicalName
Brinzolamide
CasNumber
138890-62-7
MolecularFormula
C12H21N3O5S3
MolecularWeight
383.5072
MdlNumber
MFCD08067749
Smiles
COCCCN1C[C@H](NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Complexity
598
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
-0.3
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CatalogNumber: AA59133
ChemicalName: Brinzolamide
CasNumber: 138890-62-7
MolecularFormula: C12H21N3O5S3
MolecularWeight: 383.5072
MdlNumber: MFCD08067749
Smiles: COCCCN1C[C@H](NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Complexity: 598
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: -0.3
CatalogNumber:
AA59133
ChemicalName:
Brinzolamide
CasNumber:
138890-62-7
MolecularFormula:
C12H21N3O5S3
MolecularWeight:
383.5072
MdlNumber:
MFCD08067749
Smiles:
COCCCN1C[C@H](NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Complexity:
598
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)N1CCNCC1
Complexity: 108
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)N1CCNCC1
Complexity:
108
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnn(c1N)c1ccc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnn(c1N)c1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA59138
ChemicalName: Ethyl 5-amino-1-(3-fluorophenyl)-1h-pyrazole-4-carboxylate
CasNumber: 138907-70-7
MolecularFormula: C12H12FN3O2
MolecularWeight: 249.241
MdlNumber: MFCD13176482
Smiles: CCOC(=O)c1cnn(c1N)c1cccc(c1)F
Complexity: 303
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA59138
ChemicalName:
Ethyl 5-amino-1-(3-fluorophenyl)-1h-pyrazole-4-carboxylate
CasNumber:
138907-70-7
MolecularFormula:
C12H12FN3O2
MolecularWeight:
249.241
MdlNumber:
MFCD13176482
Smiles:
CCOC(=O)c1cnn(c1N)c1cccc(c1)F
Complexity:
303
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.4