AA50008
1370411-46-3 | 2-Methanesulfonylpyrimidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA50008
ChemicalName
2-Methanesulfonylpyrimidine-4-carboxylic acid
CasNumber
1370411-46-3
MolecularFormula
C6H6N2O4S
MolecularWeight
202.1878
MdlNumber
MFCD09834806
Smiles
OC(=O)c1ccnc(n1)S(=O)(=O)C
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.4
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CatalogNumber: AA50008
ChemicalName: 2-Methanesulfonylpyrimidine-4-carboxylic acid
CasNumber: 1370411-46-3
MolecularFormula: C6H6N2O4S
MolecularWeight: 202.1878
MdlNumber: MFCD09834806
Smiles: OC(=O)c1ccnc(n1)S(=O)(=O)C
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AA50008
ChemicalName:
2-Methanesulfonylpyrimidine-4-carboxylic acid
CasNumber:
1370411-46-3
MolecularFormula:
C6H6N2O4S
MolecularWeight:
202.1878
MdlNumber:
MFCD09834806
Smiles:
OC(=O)c1ccnc(n1)S(=O)(=O)C
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.4
CatalogNumber: AA50009
ChemicalName: Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate
CasNumber: 1370411-44-1
MolecularFormula: C15H13Cl2N3O2
MolecularWeight: 338.1886
MdlNumber: MFCD02093985
Smiles: Clc1nc2CN(CCc2c(n1)Cl)C(=O)OCc1ccccc1
Complexity: 393
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AA50009
ChemicalName:
Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate
CasNumber:
1370411-44-1
MolecularFormula:
C15H13Cl2N3O2
MolecularWeight:
338.1886
MdlNumber:
MFCD02093985
Smiles:
Clc1nc2CN(CCc2c(n1)Cl)C(=O)OCc1ccccc1
Complexity:
393
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)CCS(=O)(=O)c1nnnn1c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)CCS(=O)(=O)c1nnnn1c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccccc1C(=O)n1c(C)c(c2c1cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccccc1C(=O)n1c(C)c(c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__