2-(3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 2534-6518 |
| Compound Name: | 2-(3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C23 H23 N3 O3 S3 |
| Smiles: | Cc1ccc(/C=C2/C(N(CCC(Nc3c(C(N)=O)c4CCCCc4s3)=O)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2214 |
| logD: | 2.5309 |
| logSw: | -3.6781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.344 |
| InChI Key: | VQZDOQUVCSGLIC-UHFFFAOYSA-N |