1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(phenylsulfanyl)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-(phenylsulfanyl)ethan-1-one
1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | M613-1523 |
| Compound Name: | 1-(4-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | C1CN(CCN(C1)C(CSc1ccccc1)=O)Cc1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.2453 |
| logD: | 4.245 |
| logSw: | -4.5493 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.574 |
| InChI Key: | TZZVDIHRSRBUPU-UHFFFAOYSA-N |