AI16248
1251001-25-8 | tert-Butyl 2-oxo-2,3-dihydro-1h-spiro[benzo[e][1,4]oxazepine-5,4'-piperidine]-1'-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI16248
ChemicalName
tert-Butyl 2-oxo-2,3-dihydro-1h-spiro[benzo[e][1,4]oxazepine-5,4'-piperidine]-1'-carboxylate
CasNumber
1251001-25-8
MolecularFormula
C18H24N2O4
MolecularWeight
332.3942
MdlNumber
MFCD14581277
Smiles
O=C1COC2(c3c(N1)cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity
492
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AI16248
ChemicalName: tert-Butyl 2-oxo-2,3-dihydro-1h-spiro[benzo[e][1,4]oxazepine-5,4'-piperidine]-1'-carboxylate
CasNumber: 1251001-25-8
MolecularFormula: C18H24N2O4
MolecularWeight: 332.3942
MdlNumber: MFCD14581277
Smiles: O=C1COC2(c3c(N1)cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 492
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI16248
ChemicalName:
tert-Butyl 2-oxo-2,3-dihydro-1h-spiro[benzo[e][1,4]oxazepine-5,4'-piperidine]-1'-carboxylate
CasNumber:
1251001-25-8
MolecularFormula:
C18H24N2O4
MolecularWeight:
332.3942
MdlNumber:
MFCD14581277
Smiles:
O=C1COC2(c3c(N1)cccc3)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
492
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1nnc2n1CCN(CC2)C(=O)OC(C)(C)C
Complexity: 424
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1nnc2n1CCN(CC2)C(=O)OC(C)(C)C
Complexity:
424
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CC[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1CC[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI16251
ChemicalName: tert-Butyl 4-(hydroxymethyl)-3-isopropyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate
CasNumber: 1251001-42-9
MolecularFormula: C15H25N3O3
MolecularWeight: 295.3773
MdlNumber: MFCD18792184
Smiles: OCC1N(CCc2c1n(cn2)C(C)C)C(=O)OC(C)(C)C
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AI16251
ChemicalName:
tert-Butyl 4-(hydroxymethyl)-3-isopropyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate
CasNumber:
1251001-42-9
MolecularFormula:
C15H25N3O3
MolecularWeight:
295.3773
MdlNumber:
MFCD18792184
Smiles:
OCC1N(CCc2c1n(cn2)C(C)C)C(=O)OC(C)(C)C
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.9