Ethyl hydrogen 3-[(5,5-dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenylphosphonate
Basic information
- Standard SMILES
CCOP(=O)(O)c1cccc(Oc2ccc3c(c2)S(=O)(=O)NC2CCCN32)c1- InChIKey
QWAOZSRWNZGEOO-UHFFFAOYSA-N- Molecular formula
- C18H21N2O6PS
- Average molar mass
- 424.4 g/mol
Names & identifiers
- Preferred name
- Ethyl hydrogen 3-[(5,5-dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenylphosphonate
- IUPAC
- [3-[(5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenyl]-ethoxyphosphinic acid
Names & synonyms
SCHEMBL5619803SCHEMBL30794856QWAOZSRWNZGEOO-UHFFFAOYSA-NEthyl hydrogen 3-[(5,5-dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenylphosphonate
Database identifiers
- PubChem CID
- 10151118
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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