3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-benzyl-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-benzyl-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-benzyl-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0099 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-benzyl-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C24 H20 N2 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N\C=C1/C(c2ccccc2N(Cc2ccccc2)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0027 |
| logD: | 3.0027 |
| logSw: | -3.7975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.156 |
| InChI Key: | WBXIMFBCAYEODK-UHFFFAOYSA-N |