3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0015 |
| Compound Name: | 3-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 514.53 |
| Molecular Formula: | C25 H21 F3 N4 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3c(ccs3)NC2=O)=O)cc1)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.074 |
| logD: | 4.0739 |
| logSw: | -4.2428 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.407 |
| InChI Key: | HVGGJBPZCUQQFP-UHFFFAOYSA-N |