5-(5-methylthiophene-2-carbonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(5-methylthiophene-2-carbonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
5-(5-methylthiophene-2-carbonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0030 |
| Compound Name: | 5-(5-methylthiophene-2-carbonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CC(C)c1nc(C2CCCN(CCC(NCC2)=O)C(c2ccc(C)s2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7583 |
| logD: | 2.7583 |
| logSw: | -3.181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.937 |
| InChI Key: | XQAZMRKRTCLMOK-HNNXBMFYSA-N |