AA55717
122357-96-4 | Methyl 4-(diethylcarbamoyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA55717
ChemicalName
Methyl 4-(diethylcarbamoyl)benzoate
CasNumber
122357-96-4
MolecularFormula
C13H17NO3
MolecularWeight
235.279
MdlNumber
MFCD09418544
Smiles
CCN(C(=O)c1ccc(cc1)C(=O)OC)CC
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
1.1
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CatalogNumber: AA55717
ChemicalName: Methyl 4-(diethylcarbamoyl)benzoate
CasNumber: 122357-96-4
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD09418544
Smiles: CCN(C(=O)c1ccc(cc1)C(=O)OC)CC
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.1
CatalogNumber:
AA55717
ChemicalName:
Methyl 4-(diethylcarbamoyl)benzoate
CasNumber:
122357-96-4
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD09418544
Smiles:
CCN(C(=O)c1ccc(cc1)C(=O)OC)CC
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)c1nc2c(o1)ccc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)c1nc2c(o1)ccc(c2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]1C[C@H](CN1C(=O)OCC1c2ccccc2-c2c1cccc2)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1C[C@H](CN1C(=O)OCC1c2ccccc2-c2c1cccc2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC[C@@H](C(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2
Complexity: 683
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC[C@@H](C(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2
Complexity:
683
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.4