3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0175 |
| Compound Name: | 3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(N2CCC3(CC2)OCCO3)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5095 |
| logD: | 1.5095 |
| logSw: | -2.2781 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.417 |
| InChI Key: | LSWZHTAMIZACAR-GOSISDBHSA-N |