AI62527
935843-58-6 | tert-Butyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI62527
ChemicalName
tert-Butyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate
CasNumber
935843-58-6
MolecularFormula
C11H20N2O3
MolecularWeight
228.2881
MdlNumber
MFCD28991715
Smiles
O=C1NCCN(C(C1)C)C(=O)OC(C)(C)C
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AI62527
ChemicalName: tert-Butyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate
CasNumber: 935843-58-6
MolecularFormula: C11H20N2O3
MolecularWeight: 228.2881
MdlNumber: MFCD28991715
Smiles: O=C1NCCN(C(C1)C)C(=O)OC(C)(C)C
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AI62527
ChemicalName:
tert-Butyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate
CasNumber:
935843-58-6
MolecularFormula:
C11H20N2O3
MolecularWeight:
228.2881
MdlNumber:
MFCD28991715
Smiles:
O=C1NCCN(C(C1)C)C(=O)OC(C)(C)C
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
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Smiles: O=C1CCCc2c1scn2
Complexity: __
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Smiles:
O=C1CCCc2c1scn2
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Smiles: OB(c1ccc2c(c1)CCN2)O
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Smiles:
OB(c1ccc2c(c1)CCN2)O
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Nc1ncccc1c1nc2c([nH]1)cccc2
Complexity: __
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__
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Smiles:
Nc1ncccc1c1nc2c([nH]1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__