2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-9677 |
| Compound Name: | 2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 266.38 |
| Molecular Formula: | C12 H14 N2 O S2 |
| Smiles: | C1CCCc2c(CC1)c1C(NC(=Nc1s2)S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1718 |
| logD: | -0.5999 |
| logSw: | -3.4328 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.887 |
| InChI Key: | IWIHIMYAYODMPA-UHFFFAOYSA-N |