2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C280-1019 |
| Compound Name: | 2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 491.67 |
| Molecular Formula: | C27 H29 N3 O2 S2 |
| Smiles: | CC1CC2=C(C(N(C(=N2)SCC(N2CCC(CC2)Cc2ccccc2)=O)c2ccccc2)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7779 |
| logD: | 4.7778 |
| logSw: | -4.5577 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.617 |
| InChI Key: | IKTOSCSPZHBQSJ-IBGZPJMESA-N |