2-{[2-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-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: | 4469-0548 |
| Compound Name: | 2-{[2-(4-bromophenyl)-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: | 475.42 |
| Molecular Formula: | C21 H19 Br N2 O2 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3408 |
| logD: | 5.3408 |
| logSw: | -5.6577 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.091 |
| InChI Key: | PWDOFDBWVYGEQL-UHFFFAOYSA-N |