N-(4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide
N-(4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V025-9435 |
| Compound Name: | N-(4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCCCN1C(CCC)=NS(c2cc(ccc12)NC(c1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4597 |
| logD: | 4.3799 |
| logSw: | -4.1873 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.142 |
| InChI Key: | GIUXPZQDMVBWAU-UHFFFAOYSA-N |