AA44570
1289384-70-8 | 1-(6-Chloro-2-(methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA44570
ChemicalName
1-(6-Chloro-2-(methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
CasNumber
1289384-70-8
MolecularFormula
C9H10ClN3O2S
MolecularWeight
259.7126
MdlNumber
MFCD18837441
Smiles
CSc1nc(cc(n1)Cl)N1CC(C1)C(=O)O
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AA44570
ChemicalName: 1-(6-Chloro-2-(methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
CasNumber: 1289384-70-8
MolecularFormula: C9H10ClN3O2S
MolecularWeight: 259.7126
MdlNumber: MFCD18837441
Smiles: CSc1nc(cc(n1)Cl)N1CC(C1)C(=O)O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AA44570
ChemicalName:
1-(6-Chloro-2-(methylthio)pyrimidin-4-yl)azetidine-3-carboxylic acid
CasNumber:
1289384-70-8
MolecularFormula:
C9H10ClN3O2S
MolecularWeight:
259.7126
MdlNumber:
MFCD18837441
Smiles:
CSc1nc(cc(n1)Cl)N1CC(C1)C(=O)O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: N#Cc1ccccc1CNCC1CCCCN1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
N#Cc1ccccc1CNCC1CCCCN1.Cl
Complexity:
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Smiles: CSc1nc(NC2CCC(CC2)NC(=O)OC(C)(C)C)cc(n1)Cl
Complexity: __
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Smiles:
CSc1nc(NC2CCC(CC2)NC(=O)OC(C)(C)C)cc(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OCC1CCN(CC1)C(c1nccnc1)C
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Smiles:
OCC1CCN(CC1)C(c1nccnc1)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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