3-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0034 |
| Compound Name: | 3-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C23 H25 F3 N4 O3 S |
| Smiles: | C(CCC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)CCN1C(c2c(ccs2)NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8156 |
| logD: | 3.8151 |
| logSw: | -3.947 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.13 |
| InChI Key: | HQALWBMNYUOGLH-UHFFFAOYSA-N |