AD25939
454451-26-4 | tert-Butyl azepan-3-ylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AD25939
ChemicalName
tert-Butyl azepan-3-ylcarbamate
CasNumber
454451-26-4
MolecularFormula
C11H22N2O2
MolecularWeight
214.3046
MdlNumber
MFCD11506198
Smiles
O=C(OC(C)(C)C)NC1CCCCNC1
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AD25939
ChemicalName: tert-Butyl azepan-3-ylcarbamate
CasNumber: 454451-26-4
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD11506198
Smiles: O=C(OC(C)(C)C)NC1CCCCNC1
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AD25939
ChemicalName:
tert-Butyl azepan-3-ylcarbamate
CasNumber:
454451-26-4
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD11506198
Smiles:
O=C(OC(C)(C)C)NC1CCCCNC1
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Zn+]c1cccs1.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Zn+]c1cccs1.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)ONC(=O)NC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)ONC(=O)NC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)cc(c1S(=O)(=O)N)C
Complexity: 256
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)cc(c1S(=O)(=O)N)C
Complexity:
256
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6