(4-tert-butylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(4-tert-butylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Compound characteristics
Compound ID: | V004-9218 |
Compound Name: | (4-tert-butylphenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
Molecular Weight: | 565.64 |
Molecular Formula: | C31 H34 F3 N5 O2 |
Salt: | not_available |
Smiles: | CCCc1nc(c2c(c3cccc(c3)C(F)(F)F)noc2n1)N1CCCN(CC1)C(c1ccc(cc1)C(C)(C)C)=O |
Stereo: | ACHIRAL |
logP: | 7.7298 |
logD: | 7.7294 |
logSw: | -6.0976 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 62.074 |
InChI Key: | MHHGKZWNLUQPAJ-UHFFFAOYSA-N |