AB50942
574013-66-4 | methyl (2E)-3-{3-[N-({4-[4-(dimethylamino)phenyl]phenyl}methyl)cyclohexaneamido]phenyl}prop-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AB50942
ChemicalName
methyl (2E)-3-{3-[N-({4-[4-(dimethylamino)phenyl]phenyl}methyl)cyclohexaneamido]phenyl}prop-2-enoate
CasNumber
574013-66-4
MolecularFormula
C32H36N2O3
MolecularWeight
496.6398
MdlNumber
MFCD09971007
Smiles
COC(=O)/C=C/c1cccc(c1)N(C(=O)C1CCCCC1)Cc1ccc(cc1)c1ccc(cc1)N(C)C
Complexity
743
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
4
RotatableBondCount
9
Xlogp3
6.9
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CatalogNumber: AB50942
ChemicalName: methyl (2E)-3-{3-[N-({4-[4-(dimethylamino)phenyl]phenyl}methyl)cyclohexaneamido]phenyl}prop-2-enoate
CasNumber: 574013-66-4
MolecularFormula: C32H36N2O3
MolecularWeight: 496.6398
MdlNumber: MFCD09971007
Smiles: COC(=O)/C=C/c1cccc(c1)N(C(=O)C1CCCCC1)Cc1ccc(cc1)c1ccc(cc1)N(C)C
Complexity: 743
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 4
RotatableBondCount: 9
Xlogp3: 6.9
CatalogNumber:
AB50942
ChemicalName:
methyl (2E)-3-{3-[N-({4-[4-(dimethylamino)phenyl]phenyl}methyl)cyclohexaneamido]phenyl}prop-2-enoate
CasNumber:
574013-66-4
MolecularFormula:
C32H36N2O3
MolecularWeight:
496.6398
MdlNumber:
MFCD09971007
Smiles:
COC(=O)/C=C/c1cccc(c1)N(C(=O)C1CCCCC1)Cc1ccc(cc1)c1ccc(cc1)N(C)C
Complexity:
743
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
4
RotatableBondCount:
9
Xlogp3:
6.9
CatalogNumber: AB50943
ChemicalName: 4-Chloro-3-iodoaniline
CasNumber: 573764-31-5
MolecularFormula: C6H5ClIN
MolecularWeight: 253.4681
MdlNumber: MFCD11521292
Smiles: Nc1ccc(c(c1)I)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB50943
ChemicalName:
4-Chloro-3-iodoaniline
CasNumber:
573764-31-5
MolecularFormula:
C6H5ClIN
MolecularWeight:
253.4681
MdlNumber:
MFCD11521292
Smiles:
Nc1ccc(c(c1)I)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)C(OCc1ccccc1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)C(OCc1ccccc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(=O)Cl
Complexity: 98.4
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(=O)Cl
Complexity:
98.4
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1