AB02447
179686-38-5 | 1-Boc-3-oxo-1,4-diazepane
Manufacturer: A2B Chem
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CatalogNumber
AB02447
ChemicalName
1-Boc-3-oxo-1,4-diazepane
CasNumber
179686-38-5
MolecularFormula
C10H18N2O3
MolecularWeight
214.2615
MdlNumber
MFCD11975719
Smiles
O=C1NCCCN(C1)C(=O)OC(C)(C)C
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AB02447
ChemicalName: 1-Boc-3-oxo-1,4-diazepane
CasNumber: 179686-38-5
MolecularFormula: C10H18N2O3
MolecularWeight: 214.2615
MdlNumber: MFCD11975719
Smiles: O=C1NCCCN(C1)C(=O)OC(C)(C)C
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AB02447
ChemicalName:
1-Boc-3-oxo-1,4-diazepane
CasNumber:
179686-38-5
MolecularFormula:
C10H18N2O3
MolecularWeight:
214.2615
MdlNumber:
MFCD11975719
Smiles:
O=C1NCCCN(C1)C(=O)OC(C)(C)C
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=NCC(CC1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=NCC(CC1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB02451
ChemicalName: 2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]acetonitrile
CasNumber: 17969-48-1
MolecularFormula: C11H7ClN2S
MolecularWeight: 234.7047
MdlNumber: MFCD00052875
Smiles: N#CCc1scc(n1)c1ccc(cc1)Cl
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB02451
ChemicalName:
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]acetonitrile
CasNumber:
17969-48-1
MolecularFormula:
C11H7ClN2S
MolecularWeight:
234.7047
MdlNumber:
MFCD00052875
Smiles:
N#CCc1scc(n1)c1ccc(cc1)Cl
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1csc(n1)c1ccccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1csc(n1)c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__