2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8640-0127 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 498.06 |
| Molecular Formula: | C25 H24 Cl N3 O2 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCN(C)Cc1s2)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.302 |
| logD: | 5.2918 |
| logSw: | -5.9623 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.516 |
| InChI Key: | CJHBQLQIBANGBH-UHFFFAOYSA-N |