Basic information
- Standard SMILES
CCC1SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)c(OC)c1- InChIKey
GWVPBGLOGIVWER-UHFFFAOYSA-N- Molecular formula
- C20H21N3O5S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.12019195
Names & identifiers
- Preferred name
- 3-(4-Nitrobenzyl)-5-(3,4-dimethoxyphenyl)-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one
- IUPAC
- 5-(3,4-dimethoxyphenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one
Names & synonyms
SCHEMBL6660164GWVPBGLOGIVWER-UHFFFAOYSA-N3-(4-nitrobenzyl)-5-(3,4-dimethoxyphenyl)-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one
Database identifiers
- PubChem CID
- 9801942
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 618
Related reactions
5 records
Compound notes
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