Basic information
- CAS
879166-97-9- Standard SMILES
COc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(OC)c1- InChIKey
CRYOXDOMSLDKII-UHFFFAOYSA-N- Molecular formula
- C16H17N3O5S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.08889182
Names & identifiers
- Preferred name
- N-(2,4-dimethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
- IUPAC
- N-(2,4-dimethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
Names & synonyms
MLS002170235CHEMBL1704475DTXSID601325992HMS3054J03AKOS034534051SMR001250556Z71192140879166-97-9N-(2,4-Dimethoxyphenyl)-2,2-dioxo-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-7-carboxamideN-(2,4-dimethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
Database identifiers
- CAS
879166-97-9- PubChem CID
- 9508938
- DTXSID
DTXSID601325992- ChEMBL
CHEMBL1704475
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 723
Experimental & physicochemical properties
Solubility37.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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