N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
Compound characteristics
| Compound ID: | E883-0418 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide |
| Molecular Weight: | 485.48 |
| Molecular Formula: | C21 H22 F3 N3 O5 S |
| Smiles: | COc1ccc(CCNC(CCC2NS(c3ccc(cc3N=2)C(F)(F)F)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3846 |
| logD: | 1.0746 |
| logSw: | -2.5343 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.198 |
| InChI Key: | GRLKRJSENAHNPO-UHFFFAOYSA-N |