3-(2-ethylhexyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(2-ethylhexyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-(2-ethylhexyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0137 |
| Compound Name: | 3-(2-ethylhexyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 346.51 |
| Molecular Formula: | C18 H22 N2 O S2 |
| Smiles: | CCCCC(CC)CN1C(c2c(c3ccccc3s2)NC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7803 |
| logD: | 5.7798 |
| logSw: | -5.7572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.0842 |
| InChI Key: | HJMXNWUYQOBGMY-LBPRGKRZSA-N |