3,5-dimethyl-4-[1-(2-nitrobenzene-1-sulfonyl)pyrrolidin-2-yl]-1,2-oxazole
Chemical Structure Depiction of
3,5-dimethyl-4-[1-(2-nitrobenzene-1-sulfonyl)pyrrolidin-2-yl]-1,2-oxazole
3,5-dimethyl-4-[1-(2-nitrobenzene-1-sulfonyl)pyrrolidin-2-yl]-1,2-oxazole
Compound characteristics
| Compound ID: | J005-0409 |
| Compound Name: | 3,5-dimethyl-4-[1-(2-nitrobenzene-1-sulfonyl)pyrrolidin-2-yl]-1,2-oxazole |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C15 H17 N3 O5 S |
| Smiles: | Cc1c(C2CCCN2S(c2ccccc2[N+]([O-])=O)(=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9658 |
| logD: | 1.9658 |
| logSw: | -2.2824 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.633 |
| InChI Key: | VAEYXXSCLDTCQC-ZDUSSCGKSA-N |