3,4-dimethyl-6-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Chemical Structure Depiction of
3,4-dimethyl-6-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
3,4-dimethyl-6-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Compound characteristics
| Compound ID: | F429-0095 |
| Compound Name: | 3,4-dimethyl-6-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C21 H22 F3 N5 O3 |
| Smiles: | CC1c2c(C(N(CCC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)N=1)=O)noc2C |
| Stereo: | ACHIRAL |
| logP: | 2.0678 |
| logD: | 2.0669 |
| logSw: | -2.5273 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.594 |
| InChI Key: | KGHRJJQKLDDFJK-UHFFFAOYSA-N |