2-(4-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(4-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(4-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3324-0536 |
| Compound Name: | 2-(4-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 564.54 |
| Molecular Formula: | C23 H22 Br N3 O3 S3 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CCCN1C(/C(=C/c3cccc(c3)[Br])SC1=S)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.327 |
| logD: | 2.8827 |
| logSw: | -3.7674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.344 |
| InChI Key: | RICVKKRGRXIZOD-UHFFFAOYSA-N |