N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | K261-0695 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C20 H21 N3 O5 S |
| Smiles: | CC(CC1NS(c2ccccc2N=1)(=O)=O)CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9632 |
| logD: | 1.5232 |
| logSw: | -2.8892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.211 |
| InChI Key: | PANMHLLJBFGLAT-CYBMUJFWSA-N |