N-[1,1-dioxo-4-phenyl-3-(propan-2-yl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[1,1-dioxo-4-phenyl-3-(propan-2-yl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
N-[1,1-dioxo-4-phenyl-3-(propan-2-yl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-4489 |
| Compound Name: | N-[1,1-dioxo-4-phenyl-3-(propan-2-yl)-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)C1=NS(c2cc(ccc2N1c1ccccc1)NC(c1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0488 |
| logD: | 3.9942 |
| logSw: | -4.1133 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.425 |
| InChI Key: | WJKNCFDVRHOPLR-UHFFFAOYSA-N |