AI52651
5633-20-5 | 4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Manufacturer: A2B Chem
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CatalogNumber
AI52651
ChemicalName
4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CasNumber
5633-20-5
MolecularFormula
C22H31NO3
MolecularWeight
357.4864
MdlNumber
MFCD00865252
Smiles
CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
Complexity
490
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
4.2
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CatalogNumber: AI52651
ChemicalName: 4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CasNumber: 5633-20-5
MolecularFormula: C22H31NO3
MolecularWeight: 357.4864
MdlNumber: MFCD00865252
Smiles: CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
Complexity: 490
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.2
CatalogNumber:
AI52651
ChemicalName:
4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CasNumber:
5633-20-5
MolecularFormula:
C22H31NO3
MolecularWeight:
357.4864
MdlNumber:
MFCD00865252
Smiles:
CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
Complexity:
490
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.2
CatalogNumber: AI52653
ChemicalName: N-Acetyl-l-carnosine
CasNumber: 56353-15-2
MolecularFormula: C11H16N4O4
MolecularWeight: 268.2691
MdlNumber: MFCD04039376
Smiles: O=C(N[C@H](C(=O)O)Cc1cnc[nH]1)CCNC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI52653
ChemicalName:
N-Acetyl-l-carnosine
CasNumber:
56353-15-2
MolecularFormula:
C11H16N4O4
MolecularWeight:
268.2691
MdlNumber:
MFCD04039376
Smiles:
O=C(N[C@H](C(=O)O)Cc1cnc[nH]1)CCNC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCSc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCSc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1ccc(cc1)OC(C)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1ccc(cc1)OC(C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__