1-benzyl-3-[(5-chloro-2-methoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-[(5-chloro-2-methoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-[(5-chloro-2-methoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0076 |
| Compound Name: | 1-benzyl-3-[(5-chloro-2-methoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C23 H19 Cl N2 O4 S |
| Smiles: | COc1ccc(cc1N\C=C1/C(c2ccccc2N(Cc2ccccc2)S1(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4855 |
| logD: | 4.452 |
| logSw: | -4.7039 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.442 |
| InChI Key: | XOQMBKPBUNZCRE-UHFFFAOYSA-N |