AD65826
170097-66-2 | 2-tert-Butyl 6-methyl 3,4-dihydroisoquinoline-2,6(1h)-dicarboxylate
Manufacturer: A2B Chem
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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
RotatableBondCount
4
Xlogp3
2.5
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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
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
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: __
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Smiles: [O-]C(=O)C1=C(C)N(C(=C([C@@H]1c1cccc(c1Cl)Cl)C(=O)OCOC(=O)CCC)C)C
Complexity: __
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Smiles:
[O-]C(=O)C1=C(C)N(C(=C([C@@H]1c1cccc(c1Cl)Cl)C(=O)OCOC(=O)CCC)C)C
Complexity:
__
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RotatableBondCount:
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Smiles: NCC(COc1ccc(cc1)Br)O
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Smiles:
NCC(COc1ccc(cc1)Br)O
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(N[C@H](C(=O)O)CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(O2)(C)C)OCc1ccccc1.NC1CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
O=C(N[C@H](C(=O)O)CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(O2)(C)C)OCc1ccccc1.NC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__