6-tert-butyl-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V006-6161 |
| Compound Name: | 6-tert-butyl-4-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 551.61 |
| Molecular Formula: | C31 H32 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(Cc1ccc(cc1)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7046 |
| logD: | 5.7046 |
| logSw: | -5.5986 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.977 |
| InChI Key: | ZJVDZJUGLXFXAD-UHFFFAOYSA-N |