2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4386-4724 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 454.61 |
| Molecular Formula: | C24 H26 N2 O3 S2 |
| Smiles: | C1CCC(CC1)N1C(=Nc2c(C1=O)c1CCCCc1s2)SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.0033 |
| logD: | 6.0033 |
| logSw: | -5.8278 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.931 |
| InChI Key: | WASRRRRZSSIRMN-UHFFFAOYSA-N |