7-acetyl-3-(3-chloro-4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-3462 |
| Compound Name: | 7-acetyl-3-(3-chloro-4-methylphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 419.95 |
| Molecular Formula: | C19 H18 Cl N3 O2 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SC)c1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8364 |
| logD: | 3.8364 |
| logSw: | -4.4961 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.383 |
| InChI Key: | QLVOOKBYAXHEKE-UHFFFAOYSA-N |