Compound Summary
Compound Information
VORTIOXETINE
Compound Name: | VORTIOXETINE |
Compound CID: | 9966051 |
Synonyms: | VORTIOXETINE |
Iupac Name: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine |
InChI: | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 |
InChIKey: | YQNWZWMKLDQSAC-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C |
Isomeric Smiles: | CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C |
Molecular Weight: | 298.4 |
Molecular Formula: | C18H22N2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
VORTIOXETINE
Molecular Weight: | 298.4 |
Molecular Formula: | C18H22N2S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 21 |
Complexity: | 316 |
Synonyms
VORTIOXETINE
Experimental Data
VORTIOXETINE
Experimental Data Visualization
VORTIOXETINE
Statistics Data
VORTIOXETINE
Statistics Data Visualization
VORTIOXETINE
