Basic information
- Standard SMILES
O=S1(=O)CCN2CCCC(c3ccc(Oc4cccc(Cl)c4)cc3)C2=N1- InChIKey
VWJGYRWHMDFKCR-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O3S
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.0804913
Names & identifiers
- Preferred name
- 9-[4-(3-Chlorophenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
- IUPAC
- 9-[4-(3-chlorophenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Names & synonyms
SCHEMBL869084SCHEMBL29476704VWJGYRWHMDFKCR-UHFFFAOYSA-N9-[4-(3-chlorophenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Database identifiers
- PubChem CID
- 66823737
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 625
Related reactions
7 records
Compound notes
Loading…