AG32967
5435-82-5 | Ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG32967
ChemicalName
Ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CasNumber
5435-82-5
MolecularFormula
C12H12N2O3
MolecularWeight
232.2353
MdlNumber
MFCD01758759
Smiles
CCOC(=O)c1cnc2n(c1=O)cc(cc2)C
NscNumber
21506
Complexity
498
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AG32967
ChemicalName: Ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CasNumber: 5435-82-5
MolecularFormula: C12H12N2O3
MolecularWeight: 232.2353
MdlNumber: MFCD01758759
Smiles: CCOC(=O)c1cnc2n(c1=O)cc(cc2)C
NscNumber: 21506
Complexity: 498
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AG32967
ChemicalName:
Ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CasNumber:
5435-82-5
MolecularFormula:
C12H12N2O3
MolecularWeight:
232.2353
MdlNumber:
MFCD01758759
Smiles:
CCOC(=O)c1cnc2n(c1=O)cc(cc2)C
NscNumber:
21506
Complexity:
498
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)c1cccc(c1)C(=O)OC
NscNumber: __
Complexity: 344
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1cccc(c1)C(=O)OC
NscNumber:
__
Complexity:
344
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CSCc1c(C)noc1C
NscNumber: __
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CSCc1c(C)noc1C
NscNumber:
__
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: AG32970
ChemicalName: 2-(3-Fluorophenyl)-3-oxobutanenitrile
CasNumber: 446-74-2
MolecularFormula: C10H8FNO
MolecularWeight: 177.175
MdlNumber: MFCD11208702
Smiles: N#CC(c1cccc(c1)F)C(=O)C
NscNumber: __
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AG32970
ChemicalName:
2-(3-Fluorophenyl)-3-oxobutanenitrile
CasNumber:
446-74-2
MolecularFormula:
C10H8FNO
MolecularWeight:
177.175
MdlNumber:
MFCD11208702
Smiles:
N#CC(c1cccc(c1)F)C(=O)C
NscNumber:
__
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.6