(S)-3-Amino-6-chloro-5-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)pyrazine-2-carboxamide

Base Information

• Chemical Name: (S)-3-Amino-6-chloro-5-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)pyrazine-2-carboxamide
• CAS No.: 906805-42-3
• Molecular Formula: C23H31Cl2N7O
• Molecular Weight: 492.44
• UNII: RKR7RH5HBE
• ChEMBL ID: CHEMBL1921858
• DSSTox Substance ID: DTXSID40475511
• Pharos Ligand ID: 2VFY6KSLRNAR
• Wikidata: Q82306093
• Mol file: 906805-42-3.mol

Synonyms:SCH 546738

Chemical Property of (S)-3-Amino-6-chloro-5-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)pyrazine-2-carboxamide

Chemical Property:

• Boiling Point: 628.202 °C at 760 mmHg
• Flash Point: 333.725 °C
• PSA: 104.61000
• Density: 1.327 g/cm³
• LogP: 4.25200
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 491.1967140
• Heavy Atom Count: 33
• Complexity: 642

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-2-pyrazinecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=NC(=C(N=C4Cl)C(=O)N)N
• Isomeric SMILES: CC[C@H]1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=NC(=C(N=C4Cl)C(=O)N)N