Molecule ID: 2328

IUPAC Name: 2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one

Description: The molecule is a benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3. It has a role as an environmental contaminant, a xenobiotic and a herbicide.

SMILES: CC(C)N1C(=O)c2ccccc2NS1(=O)=O

SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring1][O][=Branch1][C][=O][=O]

InChI: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3

Molecular Properties:
- Polar Surface Area: 74.9 Ų
- LogP: 2.8