(2H-1,3-benzodioxol-5-yl){4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V027-9044 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C28 H28 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CCc3ccccc3)nc2sc1C)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9548 |
| logD: | 5.1184 |
| logSw: | -5.8953 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.59 |
| InChI Key: | JQAKTRRLUPNXOI-UHFFFAOYSA-N |