Home Products Chemistry Heterocyclic Building Blocks AB77504

AB77504

4138-26-5 | Nipecotamide

Manufacturer: A2B Chem

The price for this product is unavailable. Please request a quote

CatalogNumber

AB77504

ChemicalName

Nipecotamide

CasNumber

4138-26-5

MolecularFormula

C6H12N2O

MolecularWeight

128.1723

MdlNumber

MFCD00005993

Smiles

NC(=O)C1CCCNC1

NscNumber

523303

Complexity

114

Covalently-bondedUnitCount

1

HeavyAtomCount

9

HydrogenBondAcceptorCount

2

HydrogenBondDonorCount

2

RotatableBondCount

1

UndefinedAtomStereocenterCount

1

Xlogp3

-1.3

Compare Similar Items

Show Difference

A2B Chem

--

CatalogNumber:

AB77504

ChemicalName:

Nipecotamide

CasNumber:

4138-26-5

MolecularFormula:

C6H12N2O

MolecularWeight:

128.1723

MdlNumber:

MFCD00005993

Smiles:

NC(=O)C1CCCNC1

NscNumber:

523303

Complexity:

114

Covalently-bondedUnitCount:

1

HeavyAtomCount:

9

HydrogenBondAcceptorCount:

2

HydrogenBondDonorCount:

2

RotatableBondCount:

1

UndefinedAtomStereocenterCount:

1

Xlogp3:

-1.3

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC(=O)C1CCCNC1

NscNumber:

Complexity:

114

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

__

Xlogp3:

-2.9

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

NCCCC[C@@H](C(=O)N[C@@H]1[C@H](C)SC[C@@H]2NC(=O)[C@H](NC(=O)[C@@H](NC1=O)C)[C@H](C)SC[C@H](NC(=O)[C@@H](NC2=O)Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)O)CCCCN)C(C)C)Cc1cnc[nH]1)[C@H](CC)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CS[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CS[C@@H](C)[C@H](NC(=O)[C@@H]3CSC[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@H]([C@H](CC)C)N)C(=O)N[C@@H]([C@H](CC)C)C(=O)NC(=C)C(=O)N[C@H](C(=O)N3)CC(C)C)C(=O)N3[C@H](C(=O)NCC(=O)N2)CCC3)CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CCSC)CC(C)C)CC(=O)N)CCSC

NscNumber:

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

Xlogp3:

__

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

CC(CNC(=O)c1cc(F)ccc1Br)C

NscNumber:

Complexity:

223

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

__

Xlogp3:

3.9