3-{5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0187 |
| Compound Name: | 3-{5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCCCN1C(c2c(ccs2)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6426 |
| logD: | 3.642 |
| logSw: | -3.8423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.829 |
| InChI Key: | KTIRCNXNDYTWDU-UHFFFAOYSA-N |