N-[4-butyl-3-(furan-2-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[4-butyl-3-(furan-2-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide
N-[4-butyl-3-(furan-2-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V027-3490 |
| Compound Name: | N-[4-butyl-3-(furan-2-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 491.49 |
| Molecular Formula: | C23 H20 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCCN1C(c2ccco2)=NS(c2cc(ccc12)NC(c1ccc(cc1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.081 |
| logD: | 5.073 |
| logSw: | -4.8993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.212 |
| InChI Key: | NYSSLNYYKHACDI-UHFFFAOYSA-N |