AI54099
63234-80-0 | 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Manufacturer: A2B Chem
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CatalogNumber
AI54099
ChemicalName
3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CasNumber
63234-80-0
MolecularFormula
C11H15ClN2O
MolecularWeight
226.7026
MdlNumber
MFCD06200813
Smiles
ClCCc1c(C)nc2n(c1=O)CCCC2
Complexity
347
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AI54099
ChemicalName: 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CasNumber: 63234-80-0
MolecularFormula: C11H15ClN2O
MolecularWeight: 226.7026
MdlNumber: MFCD06200813
Smiles: ClCCc1c(C)nc2n(c1=O)CCCC2
Complexity: 347
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AI54099
ChemicalName:
3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CasNumber:
63234-80-0
MolecularFormula:
C11H15ClN2O
MolecularWeight:
226.7026
MdlNumber:
MFCD06200813
Smiles:
ClCCc1c(C)nc2n(c1=O)CCCC2
Complexity:
347
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: O[C@@H]1CCN(C[C@@H]1Cc1ccccc1)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
O[C@@H]1CCN(C[C@@H]1Cc1ccccc1)C(=O)OC(C)(C)C
Complexity:
__
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Smiles: COC(=O)COc1ccc(cc1)NC(=O)OC(C)(C)C
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COC(=O)COc1ccc(cc1)NC(=O)OC(C)(C)C
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HydrogenBondAcceptorCount:
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Smiles: NCC(COc1ccccc1OC)O
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCC(COc1ccccc1OC)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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