7-acetyl-2-(benzylsulfanyl)-3-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-2-(benzylsulfanyl)-3-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-2-(benzylsulfanyl)-3-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-3541 |
| Compound Name: | 7-acetyl-2-(benzylsulfanyl)-3-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 496.05 |
| Molecular Formula: | C25 H22 Cl N3 O2 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCc1ccccc1)c1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0866 |
| logD: | 5.0866 |
| logSw: | -5.6249 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.111 |
| InChI Key: | AWNMBEMTVFHFHP-UHFFFAOYSA-N |