AD63590
112665-43-7 | Seratrodast
Manufacturer: A2B Chem
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CatalogNumber
AD63590
ChemicalName
Seratrodast
CasNumber
112665-43-7
MolecularFormula
C22H26O4
MolecularWeight
354.4394
MdlNumber
MFCD00875701
Smiles
OC(=O)CCCCCC(C1=C(C)C(=O)C(=C(C1=O)C)C)c1ccccc1
NscNumber
759640
Complexity
633
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
4.4
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CatalogNumber: AD63590
ChemicalName: Seratrodast
CasNumber: 112665-43-7
MolecularFormula: C22H26O4
MolecularWeight: 354.4394
MdlNumber: MFCD00875701
Smiles: OC(=O)CCCCCC(C1=C(C)C(=O)C(=C(C1=O)C)C)c1ccccc1
NscNumber: 759640
Complexity: 633
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.4
CatalogNumber:
AD63590
ChemicalName:
Seratrodast
CasNumber:
112665-43-7
MolecularFormula:
C22H26O4
MolecularWeight:
354.4394
MdlNumber:
MFCD00875701
Smiles:
OC(=O)CCCCCC(C1=C(C)C(=O)C(=C(C1=O)C)C)c1ccccc1
NscNumber:
759640
Complexity:
633
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.4
CatalogNumber: AD63591
ChemicalName: 1-(tert-Butoxycarbonyl)-3-fluoroazetidine-3-carboxylic acid
CasNumber: 1126650-67-6
MolecularFormula: C9H14FNO4
MolecularWeight: 219.2102
MdlNumber: MFCD15071784
Smiles: O=C(N1CC(C1)(F)C(=O)O)OC(C)(C)C
NscNumber: __
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AD63591
ChemicalName:
1-(tert-Butoxycarbonyl)-3-fluoroazetidine-3-carboxylic acid
CasNumber:
1126650-67-6
MolecularFormula:
C9H14FNO4
MolecularWeight:
219.2102
MdlNumber:
MFCD15071784
Smiles:
O=C(N1CC(C1)(F)C(=O)O)OC(C)(C)C
NscNumber:
__
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1ccc(c(c1)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1ccc(c(c1)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCS(=O)c1cc2c(o1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCS(=O)c1cc2c(o1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__