AE43120
1289386-12-4 | 1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE43120
ChemicalName
1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
CasNumber
1289386-12-4
MolecularFormula
C9H11N3O2S
MolecularWeight
225.2675
MdlNumber
MFCD18837435
Smiles
CSc1nccc(n1)N1CC(C1)C(=O)O
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AE43120
ChemicalName: 1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
CasNumber: 1289386-12-4
MolecularFormula: C9H11N3O2S
MolecularWeight: 225.2675
MdlNumber: MFCD18837435
Smiles: CSc1nccc(n1)N1CC(C1)C(=O)O
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AE43120
ChemicalName:
1-(2-(Methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
CasNumber:
1289386-12-4
MolecularFormula:
C9H11N3O2S
MolecularWeight:
225.2675
MdlNumber:
MFCD18837435
Smiles:
CSc1nccc(n1)N1CC(C1)C(=O)O
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
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Smiles: N#Cc1ccc(cc1)CN1CCCC(C1)N.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
N#Cc1ccc(cc1)CN1CCCC(C1)N.Cl
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: N#Cc1ccccc1CNC1CCCNC1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularWeight:
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Smiles:
N#Cc1ccccc1CNC1CCCNC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: NCC1CCCCN1C(=O)C1COc2c(O1)cccc2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCC1CCCCN1C(=O)C1COc2c(O1)cccc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__