N-[2-(2,5-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-(2,5-dimethoxyphenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
Compound characteristics
| Compound ID: | E883-0485 |
| Compound Name: | N-[2-(2,5-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(c(CCNC(CCC2NS(c3ccc(cc3N=2)C(F)(F)F)(=O)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.217 |
| logD: | 1.907 |
| logSw: | -3.0722 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.111 |
| InChI Key: | FJBLVXUDPYSZCE-UHFFFAOYSA-N |