N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0180 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | Cc1ccc(cc1)C1C=C(C(NCc2ccc3c(c2)OCO3)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8892 |
| logD: | 2.8884 |
| logSw: | -3.442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.756 |
| InChI Key: | ATHBEOIQBJGRSZ-UHFFFAOYSA-N |