methyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1-benzothiophene-2-carboxylate
methyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0064 |
| Compound Name: | methyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C17 H19 N O6 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(N1CCC2(CC1)OCCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3605 |
| logD: | 2.3605 |
| logSw: | -2.5336 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.307 |
| InChI Key: | LJXOMMPGDFYDMX-UHFFFAOYSA-N |