3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: | 3683-0029 |
| Compound Name: | 3-(4-methoxyphenyl)-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: | 412.57 |
| Molecular Formula: | C22 H24 N2 O2 S2 |
| Smiles: | CC(=C)CSC1=Nc2c(C(N1c1ccc(cc1)OC)=O)c1CCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.7786 |
| logD: | 5.7786 |
| logSw: | -5.4156 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.129 |
| InChI Key: | OCWYOOPJXDFROV-UHFFFAOYSA-N |