AV18757
746551-67-7 | Diethyl 2-(benzylamino)succinate
Manufacturer: A2B Chem
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CatalogNumber
AV18757
ChemicalName
Diethyl 2-(benzylamino)succinate
CasNumber
746551-67-7
MolecularFormula
C15H21NO4
MolecularWeight
279.3315
MdlNumber
MFCD28967981
Smiles
CCOC(=O)C(CC(=O)OCC)NCc1ccccc1
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
10
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AV18757
ChemicalName: Diethyl 2-(benzylamino)succinate
CasNumber: 746551-67-7
MolecularFormula: C15H21NO4
MolecularWeight: 279.3315
MdlNumber: MFCD28967981
Smiles: CCOC(=O)C(CC(=O)OCC)NCc1ccccc1
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AV18757
ChemicalName:
Diethyl 2-(benzylamino)succinate
CasNumber:
746551-67-7
MolecularFormula:
C15H21NO4
MolecularWeight:
279.3315
MdlNumber:
MFCD28967981
Smiles:
CCOC(=O)C(CC(=O)OCC)NCc1ccccc1
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1B(O)O)S(=O)(=O)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1B(O)O)S(=O)(=O)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=O)c2c3c1cccc3c(cc2)Br
Complexity: 344
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)c2c3c1cccc3c(cc2)Br
Complexity:
344
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7
CatalogNumber: AV18760
ChemicalName: (3-(N,N-Dimethylsulfamoyl)-4-methoxyphenyl)boronic acid
CasNumber: 874459-70-8
MolecularFormula: C9H14BNO5S
MolecularWeight: 259.0872
MdlNumber: MFCD28400499
Smiles: COc1ccc(cc1S(=O)(=O)N(C)C)B(O)O
Complexity: 340
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AV18760
ChemicalName:
(3-(N,N-Dimethylsulfamoyl)-4-methoxyphenyl)boronic acid
CasNumber:
874459-70-8
MolecularFormula:
C9H14BNO5S
MolecularWeight:
259.0872
MdlNumber:
MFCD28400499
Smiles:
COc1ccc(cc1S(=O)(=O)N(C)C)B(O)O
Complexity:
340
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
__