N-(3,4-dichlorophenyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
N-(3,4-dichlorophenyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V019-8244 |
| Compound Name: | N-(3,4-dichlorophenyl)-4-{6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidin-4-yl}-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 593.44 |
| Molecular Formula: | C27 H25 Cl2 F3 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(c3cccc(c3)C(F)(F)F)noc2n1)N1CCCN(CC1)C(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.77 |
| logD: | 7.7691 |
| logSw: | -6.7083 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.894 |
| InChI Key: | YWRQFFXUYCXJJT-UHFFFAOYSA-N |