Basic information
- Standard SMILES
O=S1(=O)CCN2CCCC(c3ccc(O)cc3)C2=N1- InChIKey
XAQMBCOGBMBBJW-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3S
- Average molar mass
- 280.34 g/mol
Names & identifiers
- Preferred name
- 4-(2,2-Dioxido-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenol
- IUPAC
- 4-(2,2-dioxo-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenol
Names & synonyms
SCHEMBL623053XAQMBCOGBMBBJW-UHFFFAOYSA-N4-(2,2-dioxido-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenol
Database identifiers
- PubChem CID
- 66747720
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 461
Related reactions
33 records
Compound notes
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