3-(5-chloropyridin-2-yl)-2-{[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(5-chloropyridin-2-yl)-2-{[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-(5-chloropyridin-2-yl)-2-{[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K843-0016 |
| Compound Name: | 3-(5-chloropyridin-2-yl)-2-{[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 516.01 |
| Molecular Formula: | C24 H19 Cl F N3 O3 S2 |
| Smiles: | COc1ccc(C(CSC2=Nc3c(C(N2c2ccc(cn2)[Cl])=O)c2CCCCc2s3)=O)c(c1)F |
| Stereo: | ACHIRAL |
| logP: | 6.0622 |
| logD: | 6.0622 |
| logSw: | -6.1819 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.374 |
| InChI Key: | IGEFTZSQANJKFV-UHFFFAOYSA-N |