2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3473-0088 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 532.52 |
| Molecular Formula: | C24 H26 Br N3 O2 S2 |
| Smiles: | CN1CCc2c3C(N(C4CCCCC4)C(=Nc3sc2C1)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.141 |
| logD: | 5.1308 |
| logSw: | -4.9962 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.472 |
| InChI Key: | WYTSEPASRJJGFA-UHFFFAOYSA-N |