2-{[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8009-7507 |
| Compound Name: | 2-{[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 507.48 |
| Molecular Formula: | C22 H16 Cl2 N2 O2 S3 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(c1cc(sc1[Cl])[Cl])=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1216 |
| logD: | 6.1216 |
| logSw: | -6.2601 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.248 |
| InChI Key: | SRUVJPLGHFLLND-UHFFFAOYSA-N |