2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K261-2391 |
| Compound Name: | 2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCC(NCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5374 |
| logD: | 3.5374 |
| logSw: | -3.7471 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.978 |
| InChI Key: | VAFXMJWGRMEIBA-UHFFFAOYSA-N |