2-{[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl}-3-(5-chloropyridin-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl}-3-(5-chloropyridin-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl}-3-(5-chloropyridin-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K843-0046 |
| Compound Name: | 2-{[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl}-3-(5-chloropyridin-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 524.1 |
| Molecular Formula: | C27 H26 Cl N3 O2 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(CSC1=Nc2c(C(N1c1ccc(cn1)[Cl])=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3296 |
| logD: | 7.3296 |
| logSw: | -6.543 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.83 |
| InChI Key: | ZELRVNSWDMYKLR-UHFFFAOYSA-N |