3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 4464-0424 |
| Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 292.42 |
| Molecular Formula: | C14 H16 N2 O S2 |
| Smiles: | CC(=C)CN1C(c2c3CCCCc3sc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7086 |
| logD: | 3.5599 |
| logSw: | -4.12 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.4123 |
| InChI Key: | KFVNTQPYJUJGSZ-UHFFFAOYSA-N |