5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0561 |
| Compound Name: | 5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C22 H27 N5 O5 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCCC(CCNC(CC1)=O)c1nc(c2ccccc2)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9645 |
| logD: | 1.9645 |
| logSw: | -2.4747 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.748 |
| InChI Key: | JCBACFYJJNVACV-SFHVURJKSA-N |