1,2,3,4-tetrahydro-6,7-dimethoxy-N-(2-(methylsulfonyl)-5-(piperazin-1-yl)phenyl)naphthalen-1-amine

HCID 58707331
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2c(cc1OC)C(Nc1cc(N3CCNCC3)ccc1S(C)(=O)=O)CCC2
InChIKey
SBNLNTYLTWPUMX-UHFFFAOYSA-N
Molecular formula
C23H31N3O4S
Average molar mass
445.6 g/mol
Monoisotopic mass
445.20352765

Names & identifiers

Preferred name
1,2,3,4-tetrahydro-6,7-dimethoxy-N-(2-(methylsulfonyl)-5-(piperazin-1-yl)phenyl)naphthalen-1-amine
IUPAC
6,7-dimethoxy-N-(2-methylsulfonyl-5-piperazin-1-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

Names & synonyms

SCHEMBL1748374SBNLNTYLTWPUMX-UHFFFAOYSA-N1,2,3,4-tetrahydro-6,7-dimethoxy-N-(2-(methylsulfonyl)-5-(piperazin-1-yl)phenyl)naphthalen-1-amine

Database identifiers

PubChem CID
58707331

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
88.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

Related reactions

5 records
New reaction record

Compound notes

Loading…