3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0127 |
| Compound Name: | 3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCCCN1C(c2c(ccs2)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1728 |
| logD: | 4.1723 |
| logSw: | -4.1935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.829 |
| InChI Key: | PMBKHGUOYBKSGP-UHFFFAOYSA-N |