N-[3-ethyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-ethyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
N-[3-ethyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-3791 |
| Compound Name: | N-[3-ethyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCC1=NS(c2cc(ccc2N1CC(C)C)NC(c1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9006 |
| logD: | 3.8207 |
| logSw: | -4.0146 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.164 |
| InChI Key: | FRABGEJIXQTPPB-UHFFFAOYSA-N |