7-acetyl-3-(2-methylphenyl)-2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-3-(2-methylphenyl)-2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-3-(2-methylphenyl)-2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G641-0179 |
| Compound Name: | 7-acetyl-3-(2-methylphenyl)-2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 510.68 |
| Molecular Formula: | C26 H30 N4 O3 S2 |
| Smiles: | CC1CCCN(C1)C(CSC1=Nc2c(C(N1c1ccccc1C)=O)c1CCN(Cc1s2)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5649 |
| logD: | 3.5648 |
| logSw: | -3.9489 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.136 |
| InChI Key: | UMPGXXXJNMOXNU-INIZCTEOSA-N |