Basic information
- CAS
214916-28-6- Standard SMILES
O=C1N(Cc2ccc(Cl)cc2)c2cscc2S(=O)(=O)N1Cc1ccccc1- InChIKey
NHNPWWKEDVMMRM-UHFFFAOYSA-N- Molecular formula
- C19H15ClN2O3S2
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 418.0212624
Names & identifiers
- Preferred name
- 2H-Thieno(3,4-e)-1,2,4-thiadiazin-3(4H)-one, 4-((4-chlorophenyl)methyl)-2-(phenylmethyl)-, 1,1-dioxide
- IUPAC
- 2-benzyl-4-[(4-chlorophenyl)methyl]-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Names & synonyms
214916-28-62H-Thieno(3,4-e)-1,2,4-thiadiazin-3(4H)-one, 4-((4-chlorophenyl)methyl)-2-(phenylmethyl)-, 1,1-dioxide4-((4-Chlorophenyl)methyl)-2-benzylthiopheno(3,4-e)1,2,4-thiadiazaperhydroine-1,1,3-trione2H-Thieno[3,4-e]-1,2,4-thiadiazin-3(4H)-one, 4-[(4-chlorophenyl)methyl]-2-(phenylmethyl)-, 1,1-dioxide4-[(4-Chlorophenyl)methyl]-2-benzylthiopheno[3,4-e]1,2,4-thiadiazaperhydroine-1,1,3-trioneCHEMBL133478DTXSID301757952-benzyl-4-[(4-chlorophenyl)methyl]-1,1-dioxo-thieno[3,4-e][1,2,4]thiadiazin-3-one2-Benzyl-4-[(4-chlorophenyl)methyl]-1lambda~6~-thieno[3,4-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
Database identifiers
- CAS
214916-28-6- PubChem CID
- 472014
- DTXSID
DTXSID30175795- ChEMBL
CHEMBL133478
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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