N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-oxo-3-(2-phenylethyl)-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-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K263-0367 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 503.69 |
| Molecular Formula: | C28 H29 N3 O2 S2 |
| Smiles: | C1CCC(CCNC(CSC2=Nc3c4ccccc4sc3C(N2CCc2ccccc2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.4634 |
| logD: | 5.4634 |
| logSw: | -5.8398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.749 |
| InChI Key: | HTSNRFYWELKVFR-UHFFFAOYSA-N |