3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-(thiophen-2-yl)-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-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0056 |
| Compound Name: | 3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C19 H23 N3 O5 S2 |
| Smiles: | C1CS(CC1n1c(cc(C(N2CCC3(CC2)OCCO3)=O)n1)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7502 |
| logD: | 0.7502 |
| logSw: | -2.0662 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.435 |
| InChI Key: | MTNHEGKBAGPGNG-CQSZACIVSA-N |