Basic information
- Standard SMILES
COc1ccc(C2(CCCCN(C)CCc3cc(OC)c(OC)c(OC)c3)Sc3ccccc3N(C)C2=O)cc1OC.O=C(O)C(=O)O- InChIKey
HNSZHGMLWFJJNH-UHFFFAOYSA-N- Molecular formula
- C35H44N2O10S
- Average molar mass
- 684.8 g/mol
- Monoisotopic mass
- 684.27166678
Names & identifiers
- Preferred name
- 3,4-Dihydro-2-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(N-methyl-3,4,5-trimethoxyphenethylamino)butyl]-3-oxo-2H-1,4-benzothiazine oxalate
- IUPAC
- 2-(3,4-dimethoxyphenyl)-4-methyl-2-[4-[methyl-[2-(3,4,5-trimethoxyphenyl)ethyl]amino]butyl]-1,4-benzothiazin-3-one;oxalic acid
Names & synonyms
SCHEMBL9831824HNSZHGMLWFJJNH-UHFFFAOYSA-N3,4-Dihydro-2-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(N-methyl-3,4,5-trimethoxyphenethylamino)butyl]-3-oxo-2H-1,4-benzothiazine oxalate
Database identifiers
- PubChem CID
- 20143153
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 894
Related reactions
1 records
Compound notes
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