3-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0152 |
| Compound Name: | 3-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C21 H23 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CCCN1C(c2c(ccs2)NC1=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2874 |
| logD: | 3.2869 |
| logSw: | -3.665 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.829 |
| InChI Key: | WUOCTSYHBZZMNU-UHFFFAOYSA-N |