2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 2969-0070 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 511.46 |
| Molecular Formula: | C24 H19 Br N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCc1s2)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9966 |
| logD: | 5.9966 |
| logSw: | -5.4934 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.595 |
| InChI Key: | KTQFWWVCHLELMF-UHFFFAOYSA-N |