5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0566 |
| Compound Name: | 5-(1-ethyl-1H-pyrazole-4-sulfonyl)-9-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C22 H28 N6 O4 S |
| Smiles: | CCn1cc(cn1)S(N1CCCC(CCNC(CC1)=O)c1nc(c2ccccc2)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7113 |
| logD: | 1.7113 |
| logSw: | -2.3413 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.212 |
| InChI Key: | GRLMYPQNQYCSGT-SFHVURJKSA-N |