1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,4-diazepan-1-yl]ethan-1-one
1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S990-0598 |
| Compound Name: | 1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | CC(C)Oc1ccc(CN2CCC(c3nc(C)no3)N(CC2)C(C)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2478 |
| logD: | 2.1224 |
| logSw: | -2.4301 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.284 |
| InChI Key: | KRQVBOASUMMGQF-IBGZPJMESA-N |