N-[(3,4-dimethoxyphenyl)methyl]-3-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanamide
N-[(3,4-dimethoxyphenyl)methyl]-3-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | K261-3099 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanamide |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C19 H21 N3 O5 S2 |
| Smiles: | COc1ccc(CNC(CCSC2Nc3ccccc3S(N=2)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7636 |
| logD: | 1.6925 |
| logSw: | -2.5735 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.438 |
| InChI Key: | YOJQVOKIWRRBQV-UHFFFAOYSA-N |