2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one
2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one
Compound characteristics
Compound ID: | M613-1249 |
Compound Name: | 2-(4-chlorophenoxy)-1-(4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)ethan-1-one |
Molecular Weight: | 444.89 |
Molecular Formula: | C22 H22 Cl F N4 O3 |
Smiles: | C1CN(CCN(C1)C(COc1ccc(cc1)[Cl])=O)Cc1nc(c2cccc(c2)F)no1 |
Stereo: | ACHIRAL |
logP: | 3.6644 |
logD: | 3.6637 |
logSw: | -4.1951 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 59.073 |
InChI Key: | GBCQWXJOCVGIKI-UHFFFAOYSA-N |