2-{[(4-methylphenyl)methyl]sulfanyl}-3-[(pyridin-4-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]sulfanyl}-3-[(pyridin-4-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(4-methylphenyl)methyl]sulfanyl}-3-[(pyridin-4-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y203-3436 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-3-[(pyridin-4-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C24 H23 N3 O S2 |
| Smiles: | Cc1ccc(CSC2=Nc3c(C(N2Cc2ccncc2)=O)c2CCCCc2s3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8872 |
| logD: | 4.8859 |
| logSw: | -4.5814 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.022 |
| InChI Key: | KNACKOLSLLUZAC-UHFFFAOYSA-N |