N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1176 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C17 H15 N3 O5 S2 |
| Smiles: | CN1C(=CC(c2cccs2)=NS1(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.285 |
| logD: | 2.2841 |
| logSw: | -3.0037 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.774 |
| InChI Key: | TXPLZALKSUYLLP-UHFFFAOYSA-N |