1-benzyl-3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0103 |
| Compound Name: | 1-benzyl-3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C26 H26 N2 O5 S |
| Smiles: | COc1ccc(CCN\C=C2/C(c3ccccc3N(Cc3ccccc3)S2(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8049 |
| logD: | 2.8049 |
| logSw: | -3.7702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.143 |
| InChI Key: | GMXKVJRUXLIIMX-UHFFFAOYSA-N |