AI65782
98968-28-6 | 2-(Benzylthio)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
Manufacturer: A2B Chem
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CatalogNumber
AI65782
ChemicalName
2-(Benzylthio)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CasNumber
98968-28-6
MolecularFormula
C12H9ClN4S
MolecularWeight
276.7447
MdlNumber
MFCD28992177
Smiles
Clc1ccn2c(n1)nc(n2)SCc1ccccc1
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AI65782
ChemicalName: 2-(Benzylthio)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CasNumber: 98968-28-6
MolecularFormula: C12H9ClN4S
MolecularWeight: 276.7447
MdlNumber: MFCD28992177
Smiles: Clc1ccn2c(n1)nc(n2)SCc1ccccc1
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AI65782
ChemicalName:
2-(Benzylthio)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CasNumber:
98968-28-6
MolecularFormula:
C12H9ClN4S
MolecularWeight:
276.7447
MdlNumber:
MFCD28992177
Smiles:
Clc1ccn2c(n1)nc(n2)SCc1ccccc1
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: AI65783
ChemicalName: Methyl 3-amino-2,4-dichlorobenzoate
CasNumber: 98968-66-2
MolecularFormula: C8H7Cl2NO2
MolecularWeight: 220.0527
MdlNumber: MFCD27935902
Smiles: COC(=O)c1ccc(c(c1Cl)N)Cl
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AI65783
ChemicalName:
Methyl 3-amino-2,4-dichlorobenzoate
CasNumber:
98968-66-2
MolecularFormula:
C8H7Cl2NO2
MolecularWeight:
220.0527
MdlNumber:
MFCD27935902
Smiles:
COC(=O)c1ccc(c(c1Cl)N)Cl
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.3
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)Nc1ccccc1F
Complexity: 225
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
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Smiles:
O=C(OC(C)(C)C)Nc1ccccc1F
Complexity:
225
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
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Smiles: Clc1cc(cnc1Oc1ccccc1N)C(F)(F)F
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Smiles:
Clc1cc(cnc1Oc1ccccc1N)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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