AI45427
2281-11-0 | 3-(N,N-Dimethylpalmitylammonio)propanesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AI45427
ChemicalName
3-(N,N-Dimethylpalmitylammonio)propanesulfonate
CasNumber
2281-11-0
MolecularFormula
C21H45NO3S
MolecularWeight
391.6519
MdlNumber
MFCD00036911
Smiles
CCCCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
NscNumber
628322
Complexity
389
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
3
RotatableBondCount
18
Xlogp3
7.2
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CatalogNumber: AI45427
ChemicalName: 3-(N,N-Dimethylpalmitylammonio)propanesulfonate
CasNumber: 2281-11-0
MolecularFormula: C21H45NO3S
MolecularWeight: 391.6519
MdlNumber: MFCD00036911
Smiles: CCCCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
NscNumber: 628322
Complexity: 389
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 3
RotatableBondCount: 18
Xlogp3: 7.2
CatalogNumber:
AI45427
ChemicalName:
3-(N,N-Dimethylpalmitylammonio)propanesulfonate
CasNumber:
2281-11-0
MolecularFormula:
C21H45NO3S
MolecularWeight:
391.6519
MdlNumber:
MFCD00036911
Smiles:
CCCCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
NscNumber:
628322
Complexity:
389
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
3
RotatableBondCount:
18
Xlogp3:
7.2
CatalogNumber: AI45428
ChemicalName: tert-Butyl 4-(2-oxoindolin-3-yl)piperidine-1-carboxylate
CasNumber: 228111-39-5
MolecularFormula: C18H24N2O3
MolecularWeight: 316.3948
MdlNumber: MFCD12198795
Smiles: O=C1Nc2c(C1C1CCN(CC1)C(=O)OC(C)(C)C)cccc2
NscNumber: __
Complexity: 463
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AI45428
ChemicalName:
tert-Butyl 4-(2-oxoindolin-3-yl)piperidine-1-carboxylate
CasNumber:
228111-39-5
MolecularFormula:
C18H24N2O3
MolecularWeight:
316.3948
MdlNumber:
MFCD12198795
Smiles:
O=C1Nc2c(C1C1CCN(CC1)C(=O)OC(C)(C)C)cccc2
NscNumber:
__
Complexity:
463
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)c(c(c1)Br)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)c(c(c1)Br)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1[nH]nc(n1)COc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1[nH]nc(n1)COc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__