AB12431
190900-21-1 | 5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB12431
ChemicalName
5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester
CasNumber
190900-21-1
MolecularFormula
C10H18N2O3
MolecularWeight
214.2615
MdlNumber
MFCD04115319
Smiles
O=C1NCCN(CC1)C(=O)OC(C)(C)C
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AB12431
ChemicalName: 5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester
CasNumber: 190900-21-1
MolecularFormula: C10H18N2O3
MolecularWeight: 214.2615
MdlNumber: MFCD04115319
Smiles: O=C1NCCN(CC1)C(=O)OC(C)(C)C
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AB12431
ChemicalName:
5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester
CasNumber:
190900-21-1
MolecularFormula:
C10H18N2O3
MolecularWeight:
214.2615
MdlNumber:
MFCD04115319
Smiles:
O=C1NCCN(CC1)C(=O)OC(C)(C)C
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
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Smiles: COC(=O)C1CCC(CC1)C(C)(C)C
Complexity: __
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Smiles:
COC(=O)C1CCC(CC1)C(C)(C)C
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Smiles: CCCCN1CCCCCC1=O
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CCCCN1CCCCCC1=O
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Smiles: O=C1COc2c(C1)cccc2
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1COc2c(C1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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