Basic information
- Standard SMILES
CC(C)N1Cc2cccc(F)c2N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O- InChIKey
DLHWYVPXSZYOQR-UHFFFAOYSA-N- Molecular formula
- C25H28F2N4O2S
- Average molar mass
- 486.6 g/mol
- Monoisotopic mass
- 486.19010365
Names & identifiers
- Preferred name
- 3,4-dihydro-8-fluoro-1-{2-[4-(6-fluoroindol-3-yl)-1,2,5,6-tetrahydro-1-pyridyl]-1-ethyl}-3-(1-methylethyl)-1H-2,1,3-benzothiadiazine-2,2-dioxide
- IUPAC
- 8-fluoro-1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-propan-2-yl-4H-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Names & synonyms
SCHEMBL8313423DLHWYVPXSZYOQR-UHFFFAOYSA-N3,4-dihydro-8-fluoro-1-{2-[4-(6-fluoroindol-3-yl)-1,2,5,6-tetrahydro-1-pyridyl]-1-ethyl}-3-(1-methylethyl)-1H-2,1,3-benzothiadiazine-2,2-dioxide
Database identifiers
- PubChem CID
- 15860403
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 863
Related reactions
2 records
Compound notes
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