2-[9-(2-methylbenzene-1-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[9-(2-methylbenzene-1-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[9-(2-methylbenzene-1-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S511-0295 |
| Compound Name: | 2-[9-(2-methylbenzene-1-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C22 H32 N2 O4 S |
| Smiles: | Cc1ccccc1S(N1CCC2(CC1)CC(CCO2)CC(N1CCCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0736 |
| logD: | 3.0736 |
| logSw: | -3.3093 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.038 |
| InChI Key: | XMFCEGFEKISMOF-IBGZPJMESA-N |