AI30815
1341039-62-0 | tert-Butyl 4-oxo-4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI30815
ChemicalName
tert-Butyl 4-oxo-4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate
CasNumber
1341039-62-0
MolecularFormula
C18H24N2O4
MolecularWeight
332.3942
MdlNumber
MFCD21362273
Smiles
O=C1Nc2ccccc2OC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity
492
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AI30815
ChemicalName: tert-Butyl 4-oxo-4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate
CasNumber: 1341039-62-0
MolecularFormula: C18H24N2O4
MolecularWeight: 332.3942
MdlNumber: MFCD21362273
Smiles: O=C1Nc2ccccc2OC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 492
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AI30815
ChemicalName:
tert-Butyl 4-oxo-4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-carboxylate
CasNumber:
1341039-62-0
MolecularFormula:
C18H24N2O4
MolecularWeight:
332.3942
MdlNumber:
MFCD21362273
Smiles:
O=C1Nc2ccccc2OC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
492
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
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Smiles: O=C(N[C@@H]1CN([C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: __
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Smiles:
O=C(N[C@@H]1CN([C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: OCC1CCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
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Smiles:
OCC1CCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#Cc1c(N)ncc2c1CCCN(C2)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(N)ncc2c1CCCN(C2)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__