2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4408-0002 |
| Compound Name: | 2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C22 H22 N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)C(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9303 |
| logD: | 4.9303 |
| logSw: | -4.7116 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.091 |
| InChI Key: | VALYLIBRIOLDNK-UHFFFAOYSA-N |