AH55319
76252-06-7 | Nicainoprol
Manufacturer: A2B Chem
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CatalogNumber
AH55319
ChemicalName
Nicainoprol
CasNumber
76252-06-7
MolecularFormula
C21H27N3O3
MolecularWeight
369.4574
MdlNumber
MFCD00865522
Smiles
OC(COc1cccc2c1N(CCC2)C(=O)c1cccnc1)CNC(C)C
Complexity
474
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AH55319
ChemicalName: Nicainoprol
CasNumber: 76252-06-7
MolecularFormula: C21H27N3O3
MolecularWeight: 369.4574
MdlNumber: MFCD00865522
Smiles: OC(COc1cccc2c1N(CCC2)C(=O)c1cccnc1)CNC(C)C
Complexity: 474
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AH55319
ChemicalName:
Nicainoprol
CasNumber:
76252-06-7
MolecularFormula:
C21H27N3O3
MolecularWeight:
369.4574
MdlNumber:
MFCD00865522
Smiles:
OC(COc1cccc2c1N(CCC2)C(=O)c1cccnc1)CNC(C)C
Complexity:
474
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCN(CC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCN(CC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CC(NCCCCOc1c(C)nc(c2c1COC2)Cc1ccccc1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CC(NCCCCOc1c(C)nc(c2c1COC2)Cc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OC(CC1=CC=CC=C1Cl)(CC2=CC=CC=C2Cl)C(=O)OCCN3C(CCCC3(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC(CC1=CC=CC=C1Cl)(CC2=CC=CC=C2Cl)C(=O)OCCN3C(CCCC3(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__