1-[(2-chloro-4-fluorophenyl)methyl]-4-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-diazepane
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-4-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-diazepane
1-[(2-chloro-4-fluorophenyl)methyl]-4-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-diazepane
Compound characteristics
| Compound ID: | P891-0193 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-4-{3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-diazepane |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C22 H25 Cl F N5 O |
| Smiles: | CC(C)c1nc(c2cccnc2N2CCCN(CC2)Cc2ccc(cc2[Cl])F)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.0568 |
| logD: | 4.8623 |
| logSw: | -5.1322 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.221 |
| InChI Key: | MNZSLRIUQJYDGV-UHFFFAOYSA-N |