N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide
N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V004-1071 |
| Compound Name: | N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C22 H24 F3 N3 O3 S |
| Smiles: | CCCN1C(CC(C)C)=NS(c2cc(ccc12)NC(c1ccc(cc1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2213 |
| logD: | 5.2133 |
| logSw: | -5.0231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.761 |
| InChI Key: | GPPAAGJRNNQBTB-UHFFFAOYSA-N |