AV18442
928215-97-8 | tert-Butyl 4-(4-chlorophenyl)-2-oxo-2,5-dihydro-1h-pyrrole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18442
ChemicalName
tert-Butyl 4-(4-chlorophenyl)-2-oxo-2,5-dihydro-1h-pyrrole-1-carboxylate
CasNumber
928215-97-8
MolecularFormula
C15H16ClNO3
MolecularWeight
293.7454
MdlNumber
MFCD24469255
Smiles
O=C(N1CC(=CC1=O)c1ccc(cc1)Cl)OC(C)(C)C
Complexity
431
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AV18442
ChemicalName: tert-Butyl 4-(4-chlorophenyl)-2-oxo-2,5-dihydro-1h-pyrrole-1-carboxylate
CasNumber: 928215-97-8
MolecularFormula: C15H16ClNO3
MolecularWeight: 293.7454
MdlNumber: MFCD24469255
Smiles: O=C(N1CC(=CC1=O)c1ccc(cc1)Cl)OC(C)(C)C
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AV18442
ChemicalName:
tert-Butyl 4-(4-chlorophenyl)-2-oxo-2,5-dihydro-1h-pyrrole-1-carboxylate
CasNumber:
928215-97-8
MolecularFormula:
C15H16ClNO3
MolecularWeight:
293.7454
MdlNumber:
MFCD24469255
Smiles:
O=C(N1CC(=CC1=O)c1ccc(cc1)Cl)OC(C)(C)C
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c(=O)n(c(c1)C(=O)O)C
Complexity: 294
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c(=O)n(c(c1)C(=O)O)C
Complexity:
294
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCC2C(N1)CCN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCC2C(N1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)C)C
Complexity: 385
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)C)C
Complexity:
385
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9