3-(2-methylprop-2-en-1-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(2-methylprop-2-en-1-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3-(2-methylprop-2-en-1-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4819-0485 |
| Compound Name: | 3-(2-methylprop-2-en-1-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 360.54 |
| Molecular Formula: | C19 H24 N2 O S2 |
| Smiles: | CC(=C)CN1C(=Nc2c(C1=O)c1CCCCCc1s2)SCC(C)=C |
| Stereo: | ACHIRAL |
| logP: | 5.7582 |
| logD: | 5.7582 |
| logSw: | -5.2064 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.468 |
| InChI Key: | ZIDLPNCQMRNFCE-UHFFFAOYSA-N |