N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({9-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({9-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({9-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K263-0068 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({9-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 537.68 |
| Molecular Formula: | C28 H28 F N3 O3 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4c(cccc4sc3C2=O)F)SCC(NCCC2CCCCC=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4971 |
| logD: | 5.4971 |
| logSw: | -5.444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.315 |
| InChI Key: | OIWURPKUVGRIPF-UHFFFAOYSA-N |