N-[4-butyl-3-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide
Chemical Structure Depiction of
N-[4-butyl-3-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide
N-[4-butyl-3-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide
Compound characteristics
| Compound ID: | V026-0416 |
| Compound Name: | N-[4-butyl-3-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C22 H26 F N3 O3 S |
| Salt: | not_available |
| Smiles: | CCCCN1C(CC(C)C)=NS(c2cc(ccc12)NC(c1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9455 |
| logD: | 4.8977 |
| logSw: | -4.5144 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.761 |
| InChI Key: | SQTLVDAUNMHHFJ-UHFFFAOYSA-N |