(3,4-dichlorophenyl)(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
(3,4-dichlorophenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(3,4-dichlorophenyl)(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: | V012-7819 |
| Compound Name: | (3,4-dichlorophenyl)(4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
| Molecular Weight: | 578.42 |
| Molecular Formula: | C27 H24 Cl2 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(c3cccc(c3)C(F)(F)F)noc2n1)N1CCCN(CC1)C(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.1354 |
| logD: | 7.1349 |
| logSw: | -6.6874 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.074 |
| InChI Key: | NSOCJYSAVLTQMP-UHFFFAOYSA-N |