N-(4-acetylphenyl)-2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
N-(4-acetylphenyl)-2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | K261-2394 |
Compound Name: | N-(4-acetylphenyl)-2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide |
Molecular Weight: | 445.56 |
Molecular Formula: | C21 H23 N3 O4 S2 |
Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCC(Nc1ccc(cc1)C(C)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4158 |
logD: | 3.4156 |
logSw: | -3.7416 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.939 |
InChI Key: | MLOOCXGRNAYOHI-UHFFFAOYSA-N |