1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(3-methylphenoxy)ethan-1-one
1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | M613-1522 |
| Compound Name: | 1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCCN(CC1)Cc1nc(c2ccc(cc2)[Cl])no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0347 |
| logD: | 4.034 |
| logSw: | -4.3283 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.073 |
| InChI Key: | YYTHUUVFYKSRIW-UHFFFAOYSA-N |