5-(3-methylbenzoyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(3-methylbenzoyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
5-(3-methylbenzoyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0003 |
| Compound Name: | 5-(3-methylbenzoyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | CC(C)c1nc(C2CCCN(CCC(NCC2)=O)C(c2cccc(C)c2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.273 |
| logD: | 2.273 |
| logSw: | -2.815 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.919 |
| InChI Key: | RODJGUJFMWTEEL-KRWDZBQOSA-N |