7-tert-butyl-4-(3-hydroxy-4-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Chemical Structure Depiction of
7-tert-butyl-4-(3-hydroxy-4-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
7-tert-butyl-4-(3-hydroxy-4-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Compound characteristics
| Compound ID: | 8019-7662 |
| Compound Name: | 7-tert-butyl-4-(3-hydroxy-4-methoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C22 H27 N O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(CC(Nc3sc2C1)=O)c1ccc(c(c1)O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9349 |
| logD: | 4.9284 |
| logSw: | -4.3971 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.789 |
| InChI Key: | YFPWRQWYFJODAC-UHFFFAOYSA-N |