AE83225
146628-89-9 | 2,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE83225
ChemicalName
2,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
CasNumber
146628-89-9
MolecularFormula
C9H8N2O3S
MolecularWeight
224.2364
MdlNumber
MFCD00520810
Smiles
OC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AE83225
ChemicalName: 2,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
CasNumber: 146628-89-9
MolecularFormula: C9H8N2O3S
MolecularWeight: 224.2364
MdlNumber: MFCD00520810
Smiles: OC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AE83225
ChemicalName:
2,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
CasNumber:
146628-89-9
MolecularFormula:
C9H8N2O3S
MolecularWeight:
224.2364
MdlNumber:
MFCD00520810
Smiles:
OC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=CC(=O)C(F)(F)F)C(F)(F)F.OC(=CC(=O)C(F)(F)F)C(F)(F)F.OC(=CC(=O)C(F)(F)F)C(F)(F)F.[Er].O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=CC(=O)C(F)(F)F)C(F)(F)F.OC(=CC(=O)C(F)(F)F)C(F)(F)F.OC(=CC(=O)C(F)(F)F)C(F)(F)F.[Er].O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCSc1ccc(nn1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCSc1ccc(nn1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCC(=O)Nc1ccc(cc1)Cl
Complexity: 167
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCC(=O)Nc1ccc(cc1)Cl
Complexity:
167
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6