1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(4-methylphenyl)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-(4-methylphenyl)ethan-1-one
1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | M613-1451 |
| Compound Name: | 1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 424.93 |
| Molecular Formula: | C23 H25 Cl N4 O2 |
| Smiles: | Cc1ccc(CC(N2CCCN(CC2)Cc2nc(c3ccc(cc3)[Cl])no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.465 |
| logD: | 4.4642 |
| logSw: | -4.4939 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.574 |
| InChI Key: | FIVQSGWINIBIKV-UHFFFAOYSA-N |