AX24737
1956364-75-2 | Ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(4-chlorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AX24737
ChemicalName
Ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(4-chlorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylate
CasNumber
1956364-75-2
MolecularFormula
C20H23ClF3N3O7S
MolecularWeight
541.9257
MdlNumber
MFCD28991975
Smiles
CCOC(=O)c1n(CCNC(=O)OC(C)(C)C)nc(c1OS(=O)(=O)C(F)(F)F)c1ccc(cc1)Cl
Complexity
840
Covalently-bondedUnitCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
1
RotatableBondCount
11
Xlogp3
4.5
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CatalogNumber: AX24737
ChemicalName: Ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(4-chlorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylate
CasNumber: 1956364-75-2
MolecularFormula: C20H23ClF3N3O7S
MolecularWeight: 541.9257
MdlNumber: MFCD28991975
Smiles: CCOC(=O)c1n(CCNC(=O)OC(C)(C)C)nc(c1OS(=O)(=O)C(F)(F)F)c1ccc(cc1)Cl
Complexity: 840
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 1
RotatableBondCount: 11
Xlogp3: 4.5
CatalogNumber:
AX24737
ChemicalName:
Ethyl 1-(2-((tert-butoxycarbonyl)amino)ethyl)-3-(4-chlorophenyl)-4-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazole-5-carboxylate
CasNumber:
1956364-75-2
MolecularFormula:
C20H23ClF3N3O7S
MolecularWeight:
541.9257
MdlNumber:
MFCD28991975
Smiles:
CCOC(=O)c1n(CCNC(=O)OC(C)(C)C)nc(c1OS(=O)(=O)C(F)(F)F)c1ccc(cc1)Cl
Complexity:
840
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
1
RotatableBondCount:
11
Xlogp3:
4.5
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Smiles: OC(=O)[C@H]1CC[C@@]2(O1)CCN(C2)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
OC(=O)[C@H]1CC[C@@]2(O1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
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Smiles: CCOC(=O)c1cc(n2c1cccc2)c1n[nH]cc1
Complexity: __
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Smiles:
CCOC(=O)c1cc(n2c1cccc2)c1n[nH]cc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C=CCOC(=O)N1CC2(C1)CCNCC2.Cl
Complexity: 251
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCOC(=O)N1CC2(C1)CCNCC2.Cl
Complexity:
251
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__