3-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0102 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C18 H18 N2 O S2 |
| Smiles: | C1CCC(CCN2C(c3c(c4ccccc4s3)NC2=S)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3587 |
| logD: | 4.3581 |
| logSw: | -4.2284 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.9832 |
| InChI Key: | IXLQYCZAMSTRFP-UHFFFAOYSA-N |