3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0240 |
| Compound Name: | 3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCN1C(c2c(ccs2)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1628 |
| logD: | 3.1622 |
| logSw: | -3.3448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.829 |
| InChI Key: | WTUWVBWCESBSJT-UHFFFAOYSA-N |