2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K261-2505 |
| Compound Name: | 2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 451.99 |
| Molecular Formula: | C20 H22 Cl N3 O3 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCC(Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2639 |
| logD: | 5.2637 |
| logSw: | -5.6542 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.113 |
| InChI Key: | YGZMPMSDGUQAPA-UHFFFAOYSA-N |