7-acetyl-3-(3-chloro-4-fluorophenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-3-(3-chloro-4-fluorophenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-3-(3-chloro-4-fluorophenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-3459 |
| Compound Name: | 7-acetyl-3-(3-chloro-4-fluorophenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 423.91 |
| Molecular Formula: | C18 H15 Cl F N3 O2 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SC)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1764 |
| logD: | 3.1764 |
| logSw: | -3.8035 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.383 |
| InChI Key: | JDIUYKQRHOJLSC-UHFFFAOYSA-N |