7-acetyl-2-(benzylsulfanyl)-3-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-2-(benzylsulfanyl)-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-3526 |
| Compound Name: | 7-acetyl-2-(benzylsulfanyl)-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C26 H25 N3 O3 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCN(Cc1s2)C(C)=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2007 |
| logD: | 4.2007 |
| logSw: | -4.2609 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.235 |
| InChI Key: | WCAUONGPYDPBFG-UHFFFAOYSA-N |