AD65825
170097-67-3 | 3,4-Dihydro-1h-isoquinoline-2,6-dicarboxylic acid 2-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD65825
ChemicalName
3,4-Dihydro-1h-isoquinoline-2,6-dicarboxylic acid 2-tert-butyl ester
CasNumber
170097-67-3
MolecularFormula
C15H19NO4
MolecularWeight
277.3157
MdlNumber
MFCD05861548
Smiles
O=C(N1CCc2c(C1)ccc(c2)C(=O)O)OC(C)(C)C
Complexity
388
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AD65825
ChemicalName: 3,4-Dihydro-1h-isoquinoline-2,6-dicarboxylic acid 2-tert-butyl ester
CasNumber: 170097-67-3
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD05861548
Smiles: O=C(N1CCc2c(C1)ccc(c2)C(=O)O)OC(C)(C)C
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AD65825
ChemicalName:
3,4-Dihydro-1h-isoquinoline-2,6-dicarboxylic acid 2-tert-butyl ester
CasNumber:
170097-67-3
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD05861548
Smiles:
O=C(N1CCc2c(C1)ccc(c2)C(=O)O)OC(C)(C)C
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: AD65826
ChemicalName: 2-tert-Butyl 6-methyl 3,4-dihydroisoquinoline-2,6(1h)-dicarboxylate
CasNumber: 170097-66-2
MolecularFormula: C16H21NO4
MolecularWeight: 291.34224
MdlNumber: MFCD08275038
Smiles: COC(=O)c1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AD65826
ChemicalName:
2-tert-Butyl 6-methyl 3,4-dihydroisoquinoline-2,6(1h)-dicarboxylate
CasNumber:
170097-66-2
MolecularFormula:
C16H21NO4
MolecularWeight:
291.34224
MdlNumber:
MFCD08275038
Smiles:
COC(=O)c1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C1=C(C)N(C(=C([C@@H]1c1cccc(c1Cl)Cl)C(=O)OCOC(=O)CCC)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)C1=C(C)N(C(=C([C@@H]1c1cccc(c1Cl)Cl)C(=O)OCOC(=O)CCC)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(COc1ccc(cc1)Br)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(COc1ccc(cc1)Br)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__