3-({4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-({4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-({4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0054 |
| Compound Name: | 3-({4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C24 H21 Cl N4 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3c(ccs3)NC2=O)=O)cc1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9896 |
| logD: | 3.9894 |
| logSw: | -4.5557 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.407 |
| InChI Key: | AFDUZTQXHJHADK-UHFFFAOYSA-N |