AI10115
1160247-91-5 | tert-Butyl 3-oxo-1,2,3,5-tetrahydrospiro[benzo[c]azepine-4,4'-piperidine]-1'-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI10115
ChemicalName
tert-Butyl 3-oxo-1,2,3,5-tetrahydrospiro[benzo[c]azepine-4,4'-piperidine]-1'-carboxylate
CasNumber
1160247-91-5
MolecularFormula
C19H26N2O3
MolecularWeight
330.4213
MdlNumber
MFCD12198647
Smiles
O=C(N1CCC2(CC1)Cc1ccccc1CNC2=O)OC(C)(C)C
Complexity
489
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AI10115
ChemicalName: tert-Butyl 3-oxo-1,2,3,5-tetrahydrospiro[benzo[c]azepine-4,4'-piperidine]-1'-carboxylate
CasNumber: 1160247-91-5
MolecularFormula: C19H26N2O3
MolecularWeight: 330.4213
MdlNumber: MFCD12198647
Smiles: O=C(N1CCC2(CC1)Cc1ccccc1CNC2=O)OC(C)(C)C
Complexity: 489
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AI10115
ChemicalName:
tert-Butyl 3-oxo-1,2,3,5-tetrahydrospiro[benzo[c]azepine-4,4'-piperidine]-1'-carboxylate
CasNumber:
1160247-91-5
MolecularFormula:
C19H26N2O3
MolecularWeight:
330.4213
MdlNumber:
MFCD12198647
Smiles:
O=C(N1CCC2(CC1)Cc1ccccc1CNC2=O)OC(C)(C)C
Complexity:
489
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)C1(CCCC1)CN2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)C1(CCCC1)CN2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI10117
ChemicalName: 5-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]
CasNumber: 1160247-95-9
MolecularFormula: C12H14BrNO
MolecularWeight: 268.1497
MdlNumber: MFCD12198651
Smiles: Brc1ccc2c(c1)C1(CCOCC1)CN2
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AI10117
ChemicalName:
5-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]
CasNumber:
1160247-95-9
MolecularFormula:
C12H14BrNO
MolecularWeight:
268.1497
MdlNumber:
MFCD12198651
Smiles:
Brc1ccc2c(c1)C1(CCOCC1)CN2
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)C1(CCOCC1)CN2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)C1(CCOCC1)CN2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__