N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-1953 |
| Compound Name: | N-[3-(2-methylpropyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CCCN1C(CC(C)C)=NS(c2cc(ccc12)NC(c1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2944 |
| logD: | 4.2146 |
| logSw: | -4.2164 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.142 |
| InChI Key: | TVVHOKJLNTVPPB-UHFFFAOYSA-N |