AI17233
1258652-71-9 | 1-BOC-4-[2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]ethyl]piperazine
Manufacturer: A2B Chem
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CatalogNumber
AI17233
ChemicalName
1-BOC-4-[2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]ethyl]piperazine
CasNumber
1258652-71-9
MolecularFormula
C21H35N3O4
MolecularWeight
393.5203
MdlNumber
MFCD18157714
Smiles
O=C(N1CCN(CC1)CCNC(=C1C(=O)CC(CC1=O)(C)C)C)OC(C)(C)C
Complexity
666
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.8
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CatalogNumber: AI17233
ChemicalName: 1-BOC-4-[2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]ethyl]piperazine
CasNumber: 1258652-71-9
MolecularFormula: C21H35N3O4
MolecularWeight: 393.5203
MdlNumber: MFCD18157714
Smiles: O=C(N1CCN(CC1)CCNC(=C1C(=O)CC(CC1=O)(C)C)C)OC(C)(C)C
Complexity: 666
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AI17233
ChemicalName:
1-BOC-4-[2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]ethyl]piperazine
CasNumber:
1258652-71-9
MolecularFormula:
C21H35N3O4
MolecularWeight:
393.5203
MdlNumber:
MFCD18157714
Smiles:
O=C(N1CCN(CC1)CCNC(=C1C(=O)CC(CC1=O)(C)C)C)OC(C)(C)C
Complexity:
666
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.8
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Smiles: CCOC(=O)CCc1ccccc1COc1nc(C)n(c(=O)c1Cl)C(C)C
Complexity: __
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Smiles:
CCOC(=O)CCc1ccccc1COc1nc(C)n(c(=O)c1Cl)C(C)C
Complexity:
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Smiles: CCC1=NC=CN1CC2=NC(=NO2)C3=CC(=CC=C3)C=O
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Smiles:
CCC1=NC=CN1CC2=NC(=NO2)C3=CC(=CC=C3)C=O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=CCC1(O)CCN(CC1)C(=O)c1ccc2c(c1)cccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CCC1(O)CCN(CC1)C(=O)c1ccc2c(c1)cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__