2-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)acetamide
Chemical Structure Depiction of
2-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)acetamide
2-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)acetamide
Compound characteristics
| Compound ID: | F270-0713 |
| Compound Name: | 2-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)acetamide |
| Molecular Weight: | 478.47 |
| Molecular Formula: | C22 H25 F3 N6 O3 |
| Smiles: | CC1c2c(C(N(CC(NCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)N=1)=O)noc2C |
| Stereo: | ACHIRAL |
| logP: | 1.5144 |
| logD: | 1.4355 |
| logSw: | -2.3639 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.518 |
| InChI Key: | NBADYRFZNSSMRQ-UHFFFAOYSA-N |