1-{[2-(Dimethylamino)ethyl]amino}-7-methoxy-4-methyl-9H-thioxanthen-9-one
Basic information
- CAS
80568-28-1- Standard SMILES
COc1ccc2sc3c(C)ccc(NCCN(C)C)c3c(=O)c2c1- InChIKey
HHZJJWQGYYHMAK-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2S
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.14019912
Names & identifiers
- Preferred name
- 1-{[2-(Dimethylamino)ethyl]amino}-7-methoxy-4-methyl-9H-thioxanthen-9-one
- IUPAC
- 1-[2-(dimethylamino)ethylamino]-7-methoxy-4-methylthioxanthen-9-one
Names & synonyms
NSC31700280568-28-1CHEMBL73544SCHEMBL11002406DTXSID10317494NSC-3170021-{[2-(DIMETHYLAMINO)ETHYL]AMINO}-7-METHOXY-4-METHYL-9H-THIOXANTHEN-9-ONE
Database identifiers
- CAS
80568-28-1- PubChem CID
- 330181
- DTXSID
DTXSID10317494- ChEMBL
CHEMBL73544
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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