AI16267
1251003-11-8 | 3-Bromo-imidazo[1,5-a]pyrimidine-8-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16267
ChemicalName
3-Bromo-imidazo[1,5-a]pyrimidine-8-carboxylic acid ethyl ester
CasNumber
1251003-11-8
MolecularFormula
C9H8BrN3O2
MolecularWeight
270.0827
MdlNumber
MFCD14581536
Smiles
CCOC(=O)c1ncn2c1ncc(c2)Br
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AI16267
ChemicalName: 3-Bromo-imidazo[1,5-a]pyrimidine-8-carboxylic acid ethyl ester
CasNumber: 1251003-11-8
MolecularFormula: C9H8BrN3O2
MolecularWeight: 270.0827
MdlNumber: MFCD14581536
Smiles: CCOC(=O)c1ncn2c1ncc(c2)Br
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AI16267
ChemicalName:
3-Bromo-imidazo[1,5-a]pyrimidine-8-carboxylic acid ethyl ester
CasNumber:
1251003-11-8
MolecularFormula:
C9H8BrN3O2
MolecularWeight:
270.0827
MdlNumber:
MFCD14581536
Smiles:
CCOC(=O)c1ncn2c1ncc(c2)Br
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@@H]([C@]2(C1)CCC(=O)N2)c1ccccc1)OC(C)(C)C
Complexity: 479
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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Smiles:
O=C(N1C[C@@H]([C@]2(C1)CCC(=O)N2)c1ccccc1)OC(C)(C)C
Complexity:
479
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCC2(N1)CCCN(C2)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1CCCC2(N1)CCCN(C2)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cn2c(n1)c1ccsc1nc2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cn2c(n1)c1ccsc1nc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__