3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0145 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C23 H20 N2 O5 S2 |
| Smiles: | Cc1ccc(CN2c3ccsc3C(/C(=C/NCc3ccc4c(c3)OCO4)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5247 |
| logD: | 3.5247 |
| logSw: | -3.8576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.174 |
| InChI Key: | LYWGIJNEBBWXAA-UHFFFAOYSA-N |