3-[(4-bromoanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(4-bromoanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-[(4-bromoanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
Compound ID: | E953-0117 |
Compound Name: | 3-[(4-bromoanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
Molecular Weight: | 489.41 |
Molecular Formula: | C21 H17 Br N2 O3 S2 |
Smiles: | Cc1ccc(CN2c3ccsc3C(/C(=C/Nc3ccc(cc3)[Br])S2(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.3681 |
logD: | 5.3665 |
logSw: | -5.3377 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.528 |
InChI Key: | SKNLVDICIVPKRA-UHFFFAOYSA-N |