1-benzyl-3-[(3-methylanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-[(3-methylanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-[(3-methylanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0055 |
| Compound Name: | 1-benzyl-3-[(3-methylanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C23 H20 N2 O3 S |
| Smiles: | Cc1cccc(c1)N\C=C1/C(c2ccccc2N(Cc2ccccc2)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2516 |
| logD: | 4.2516 |
| logSw: | -4.4047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.509 |
| InChI Key: | TUTVMNJQFJVNEF-UHFFFAOYSA-N |