N-butyl-4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-butyl-4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
N-butyl-4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V019-9884 |
| Compound Name: | N-butyl-4-{6-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 518.58 |
| Molecular Formula: | C26 H33 F3 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCNC(N1CCCN(CC1)c1c2c(c3cccc(c3)C(F)(F)F)noc2nc(CC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5216 |
| logD: | 6.521 |
| logSw: | -6.0172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.33 |
| InChI Key: | IBADAGWKFXEHKJ-UHFFFAOYSA-N |