3-(3,4-dimethylbenzene-1-sulfonyl)-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl)propan-1-one
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl)propan-1-one
3-(3,4-dimethylbenzene-1-sulfonyl)-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl)propan-1-one
Compound characteristics
| Compound ID: | SA47-0500 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)-1-(7-ethyl-7-hydroxy-5-oxa-2-azaspiro[3.4]octan-2-yl)propan-1-one |
| Molecular Weight: | 381.49 |
| Molecular Formula: | C19 H27 N O5 S |
| Smiles: | CCC1(CC2(CN(C2)C(CCS(c2ccc(C)c(C)c2)(=O)=O)=O)OC1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7627 |
| logD: | 1.7627 |
| logSw: | -2.3754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.632 |
| InChI Key: | AWFXJLNEAQFTHN-SFHVURJKSA-N |