1-benzyl-3-[(4-ethylanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-[(4-ethylanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-[(4-ethylanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
Compound ID: | E745-0088 |
Compound Name: | 1-benzyl-3-[(4-ethylanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
Molecular Weight: | 418.51 |
Molecular Formula: | C24 H22 N2 O3 S |
Smiles: | CCc1ccc(cc1)N\C=C1/C(c2ccccc2N(Cc2ccccc2)S1(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9429 |
logD: | 4.9429 |
logSw: | -4.6008 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.509 |
InChI Key: | CBURSJLGLHKYJV-UHFFFAOYSA-N |