Basic information
- Standard SMILES
CN1C(c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2NS1(=O)=O- InChIKey
PCGLZQCIDLAFDX-UHFFFAOYSA-N- Molecular formula
- C18H14F3N3O2S
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-1-(4-trifluoromethyl-phenyl)-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene 3,3-dioxide
- IUPAC
- 3-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
Names & synonyms
2-Methyl-1-(4-trifluoromethyl-phenyl)-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene 3,3-dioxideCHEMBL3973330SCHEMBL11973829
Database identifiers
- PubChem CID
- 60164655
- ChEMBL
CHEMBL3973330
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 643
Related reactions
1 records
Compound notes
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