AI62603
936850-11-2 | tert-Butyl 3-hydroxy-3-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI62603
ChemicalName
tert-Butyl 3-hydroxy-3-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxylate
CasNumber
936850-11-2
MolecularFormula
C12H23NO4
MolecularWeight
245.3153
MdlNumber
MFCD22571241
Smiles
OCC(C1(O)CN(C1)C(=O)OC(C)(C)C)(C)C
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.1
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CatalogNumber: AI62603
ChemicalName: tert-Butyl 3-hydroxy-3-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxylate
CasNumber: 936850-11-2
MolecularFormula: C12H23NO4
MolecularWeight: 245.3153
MdlNumber: MFCD22571241
Smiles: OCC(C1(O)CN(C1)C(=O)OC(C)(C)C)(C)C
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.1
CatalogNumber:
AI62603
ChemicalName:
tert-Butyl 3-hydroxy-3-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxylate
CasNumber:
936850-11-2
MolecularFormula:
C12H23NO4
MolecularWeight:
245.3153
MdlNumber:
MFCD22571241
Smiles:
OCC(C1(O)CN(C1)C(=O)OC(C)(C)C)(C)C
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.1
CatalogNumber: AI62604
ChemicalName: 3-(8-Chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutanone
CasNumber: 936901-72-3
MolecularFormula: C10H8ClN3O
MolecularWeight: 221.643
MdlNumber: MFCD23106397
Smiles: O=C1CC(C1)c1ncc2n1ccnc2Cl
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AI62604
ChemicalName:
3-(8-Chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutanone
CasNumber:
936901-72-3
MolecularFormula:
C10H8ClN3O
MolecularWeight:
221.643
MdlNumber:
MFCD23106397
Smiles:
O=C1CC(C1)c1ncc2n1ccnc2Cl
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AI62605
ChemicalName: 3-(1-Bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutanone
CasNumber: 936901-73-4
MolecularFormula: C10H7BrClN3O
MolecularWeight: 300.5391
MdlNumber: MFCD25542109
Smiles: O=C1CC(C1)c1nc(c2n1ccnc2Cl)Br
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AI62605
ChemicalName:
3-(1-Bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutanone
CasNumber:
936901-73-4
MolecularFormula:
C10H7BrClN3O
MolecularWeight:
300.5391
MdlNumber:
MFCD25542109
Smiles:
O=C1CC(C1)c1nc(c2n1ccnc2Cl)Br
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1F)[nH]cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1F)[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__