3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}cyclohexyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}cyclohexyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}cyclohexyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0013 |
| Compound Name: | 3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}cyclohexyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 520.57 |
| Molecular Formula: | C25 H27 F3 N4 O3 S |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=O)=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8315 |
| logD: | 4.831 |
| logSw: | -4.79 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.599 |
| InChI Key: | WFUFZEKEQYQNLL-UHFFFAOYSA-N |