N-[3-(2-methylpropyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(2-methylpropyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
N-[3-(2-methylpropyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-4574 |
| Compound Name: | N-[3-(2-methylpropyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CC1=NS(c2cc(ccc2N1c1ccccc1)NC(c1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3073 |
| logD: | 4.2531 |
| logSw: | -4.2879 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.281 |
| InChI Key: | SELWGYFGTUVQRL-UHFFFAOYSA-N |