7-acetyl-2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G641-0336 |
| Compound Name: | 7-acetyl-2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C24 H28 N4 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccco4)C(=Nc3sc2C1)SCC(N1CCCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9928 |
| logD: | 2.9928 |
| logSw: | -3.1515 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.195 |
| InChI Key: | YSPIXHIISXOQHZ-UHFFFAOYSA-N |