AI30769
1341035-20-8 | tert-Butyl 9-(benzyloxycarbonylamino)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI30769
ChemicalName
tert-Butyl 9-(benzyloxycarbonylamino)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CasNumber
1341035-20-8
MolecularFormula
C20H28N2O5
MolecularWeight
376.4467
MdlNumber
MFCD23726522
Smiles
O=C(NC1C2COCC1CN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity
513
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
2
Xlogp3
2.3
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CatalogNumber: AI30769
ChemicalName: tert-Butyl 9-(benzyloxycarbonylamino)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CasNumber: 1341035-20-8
MolecularFormula: C20H28N2O5
MolecularWeight: 376.4467
MdlNumber: MFCD23726522
Smiles: O=C(NC1C2COCC1CN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: 513
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.3
CatalogNumber:
AI30769
ChemicalName:
tert-Butyl 9-(benzyloxycarbonylamino)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CasNumber:
1341035-20-8
MolecularFormula:
C20H28N2O5
MolecularWeight:
376.4467
MdlNumber:
MFCD23726522
Smiles:
O=C(NC1C2COCC1CN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
513
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cn2c(n1)sc(c2)Br)C(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cn2c(n1)sc(c2)Br)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI30771
ChemicalName: Methyl 5-hydroxy-3-methoxy-2-naphthoate
CasNumber: 1341035-71-9
MolecularFormula: C13H12O4
MolecularWeight: 232.232
MdlNumber: MFCD21362322
Smiles: COC(=O)c1cc2cccc(c2cc1OC)O
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
AI30771
ChemicalName:
Methyl 5-hydroxy-3-methoxy-2-naphthoate
CasNumber:
1341035-71-9
MolecularFormula:
C13H12O4
MolecularWeight:
232.232
MdlNumber:
MFCD21362322
Smiles:
COC(=O)c1cc2cccc(c2cc1OC)O
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C1COCCN(C1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C1COCCN(C1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__