2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 2969-0183 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 459.03 |
| Molecular Formula: | C23 H23 Cl N2 O2 S2 |
| Smiles: | C1CCC(CC1)N1C(=Nc2c(C1=O)c1CCCc1s2)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8417 |
| logD: | 5.8417 |
| logSw: | -6.4262 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.428 |
| InChI Key: | MYSANEIPAUVCDW-UHFFFAOYSA-N |