N-(6-ethoxy-1,3-benzothiazol-2-yl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2472 |
| Compound Name: | N-(6-ethoxy-1,3-benzothiazol-2-yl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 428.59 |
| Molecular Formula: | C21 H20 N2 O2 S3 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(C1=Cc3c(CS1)c1CCCCc1s3)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.4111 |
| logD: | 6.4111 |
| logSw: | -5.5746 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.074 |
| InChI Key: | ZRORGKIUAOAQPJ-UHFFFAOYSA-N |