AF37755
204514-14-7 | Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AF37755
ChemicalName
Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate
CasNumber
204514-14-7
MolecularFormula
C12H23NO4
MolecularWeight
245.3153
MdlNumber
MFCD24445652
Smiles
CCOC(=O)C(CNC(=O)OC(C)(C)C)(C)C
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
2
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CatalogNumber: AF37755
ChemicalName: Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate
CasNumber: 204514-14-7
MolecularFormula: C12H23NO4
MolecularWeight: 245.3153
MdlNumber: MFCD24445652
Smiles: CCOC(=O)C(CNC(=O)OC(C)(C)C)(C)C
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 2
CatalogNumber:
AF37755
ChemicalName:
Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate
CasNumber:
204514-14-7
MolecularFormula:
C12H23NO4
MolecularWeight:
245.3153
MdlNumber:
MFCD24445652
Smiles:
CCOC(=O)C(CNC(=O)OC(C)(C)C)(C)C
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(cc1)c1nc2c(s1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(cc1)c1nc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccccc1S(=O)(=O)C
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccccc1S(=O)(=O)C
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]nc2[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc2c(c1)[nH]nc2[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__