2-{[2-(4,5-dimethoxy-2-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-(4,5-dimethoxy-2-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-(4,5-dimethoxy-2-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: | 4469-0544 |
| Compound Name: | 2-{[2-(4,5-dimethoxy-2-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: | 470.61 |
| Molecular Formula: | C24 H26 N2 O4 S2 |
| Smiles: | Cc1cc(c(cc1C(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7898 |
| logD: | 4.7898 |
| logSw: | -4.6096 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.352 |
| InChI Key: | OKJQIHKWWGZDCL-UHFFFAOYSA-N |