ethyl 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1H-pyrazole-4-carboxylate
ethyl 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | F421-0127 |
| Compound Name: | ethyl 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C13 H19 N3 O6 S |
| Smiles: | CCOC(c1cn[nH]c1S(N1CCC2(CC1)OCCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7596 |
| logD: | 0.5468 |
| logSw: | -2.0336 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.376 |
| InChI Key: | VJWAVTLSZMHPDA-UHFFFAOYSA-N |