3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-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~,1-benzothiazine-2,2,4(1H,3H)-trione
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0047 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | Cc1ccc(CN2c3ccccc3C(/C(=C\NCc3ccc4c(c3)OCO4)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4261 |
| logD: | 3.4261 |
| logSw: | -4.0019 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.156 |
| InChI Key: | MXTQKYIYLVHLBV-UHFFFAOYSA-N |