Basic information
- CAS
86965-94-8- Standard SMILES
S=C(C(=CN1CCCC1)c1cccc2ccccc12)N1CCOCC1- InChIKey
OTZYRSZBEJHITC-UHFFFAOYSA-N- Molecular formula
- C21H24N2OS
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.16093457
Names & identifiers
- Preferred name
- 1-(Morpholin-4-yl)-2-(naphthalen-1-yl)-3-(pyrrolidin-1-yl)prop-2-ene-1-thione
- IUPAC
- 1-morpholin-4-yl-2-naphthalen-1-yl-3-pyrrolidin-1-ylprop-2-ene-1-thione
Names & synonyms
86965-94-8DTXSID208331101-(Morpholin-4-yl)-2-(naphthalen-1-yl)-3-(pyrrolidin-1-yl)prop-2-ene-1-thione
Database identifiers
- CAS
86965-94-8- PubChem CID
- 71413596
- DTXSID
DTXSID20833110
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…