ethyl 2-(3-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2109-0257 |
| Compound Name: | ethyl 2-(3-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 518.65 |
| Molecular Formula: | C24 H23 F N2 O4 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCN1C(/C(=C/c2ccc(cc2)F)SC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9723 |
| logD: | 2.3091 |
| logSw: | -4.6523 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.039 |
| InChI Key: | KTGBDKUXBGIKKY-UHFFFAOYSA-N |