N-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
N-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-7341 |
| Compound Name: | N-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-nitrobenzamide |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCCCN1C(c2cccc(C)c2)=NS(c2cc(ccc12)NC(c1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4003 |
| logD: | 5.3204 |
| logSw: | -5.2531 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.015 |
| InChI Key: | YTTWMGJCJQJUFM-UHFFFAOYSA-N |