ethyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1-benzothiophene-2-carboxylate
ethyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0147 |
| Compound Name: | ethyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 411.49 |
| Molecular Formula: | C18 H21 N O6 S2 |
| Smiles: | CCOC(c1c(c2ccccc2s1)S(N1CCC2(CC1)OCCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7801 |
| logD: | 2.7801 |
| logSw: | -3.0213 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.887 |
| InChI Key: | XLJQQESMQKCQDO-UHFFFAOYSA-N |