5-(1-methyl-1H-pyrazole-5-carbonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(1-methyl-1H-pyrazole-5-carbonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
5-(1-methyl-1H-pyrazole-5-carbonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0422 |
| Compound Name: | 5-(1-methyl-1H-pyrazole-5-carbonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | Cn1c(ccn1)C(N1CCCC(CCNC(CC1)=O)c1nc(c2ccccc2)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.445 |
| logD: | 1.445 |
| logSw: | -1.9446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.297 |
| InChI Key: | FFGIBABHTSCUHC-KRWDZBQOSA-N |