3-[5-(3,4-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[5-(3,4-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[5-(3,4-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0292 |
| Compound Name: | 3-[5-(3,4-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCC3(CC2)OCCO3)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9484 |
| logD: | 1.9484 |
| logSw: | -2.4826 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.417 |
| InChI Key: | ASFHLDOTPMPMRP-LJQANCHMSA-N |