1-[(4-methylphenyl)methyl]-3-{[3-(methylsulfanyl)anilino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-3-{[3-(methylsulfanyl)anilino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-[(4-methylphenyl)methyl]-3-{[3-(methylsulfanyl)anilino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4128 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-3-{[3-(methylsulfanyl)anilino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C24 H22 N2 O3 S2 |
| Smiles: | Cc1ccc(CN2c3ccccc3C(/C(=C\Nc3cccc(c3)SC)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7759 |
| logD: | 4.7759 |
| logSw: | -4.5969 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.509 |
| InChI Key: | FFQNUOBPWKJJAY-UHFFFAOYSA-N |