NS8593 hydrochlorideProduct ingredient for NS-8593
- Name
- NS8593 hydrochloride
- Drug Entry
- NS-8593
- Accession Number
- DBSALT003228
- Structure
Structure for NS8593 hydrochloride (DBSALT003228)
- Synonyms
- NS-8593 HCl / NS-8593 hydrochloride / NS8593 HCl
- UNII
- Not Available
- CAS Number
- 875755-24-1
- Weight
- Average: 299.8
Monoisotopic: 299.1189253 - Chemical Formula
- C17H18ClN3
- InChI Key
- VWEKCDTXUUPBNA-PFEQFJNWSA-N
- InChI
- InChI=1S/C17H17N3.ClH/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17;/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20);1H/t14-;/m1./s1
- IUPAC Name
- N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-1,3-benzodiazol-2-amine hydrochloride
- SMILES
- Cl.C1C[C@@H](NC2=NC3=CC=CC=C3N2)C2=C(C1)C=CC=C2
- External Links
- ChemSpider
- 28467706
- Predicted Properties
Property Value Source Water Solubility 0.00842 mg/mL ALOGPS logP 4.27 ALOGPS logP 4.13 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 12.38 Chemaxon pKa (Strongest Basic) 6.93 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.71 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 81.43 m3·mol-1 Chemaxon Polarizability 30.58 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon