N-(4-butyl-3-cyclopentyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-butyl-3-cyclopentyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide
N-(4-butyl-3-cyclopentyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V025-9452 |
| Compound Name: | N-(4-butyl-3-cyclopentyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C23 H26 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCCCN1C(C2CCCC2)=NS(c2cc(ccc12)NC(c1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1001 |
| logD: | 5.0203 |
| logSw: | -4.8442 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.573 |
| InChI Key: | MHHGAKUQYWQLEZ-UHFFFAOYSA-N |