N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
Compound characteristics
| Compound ID: | E883-0440 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide |
| Molecular Weight: | 455.41 |
| Molecular Formula: | C19 H16 F3 N3 O5 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C1NS(c2ccc(cc2N=1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0059 |
| logD: | 1.6959 |
| logSw: | -2.9088 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.211 |
| InChI Key: | BDTAUJSAJLLNMZ-UHFFFAOYSA-N |