ethyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate
ethyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G225-0548 |
| Compound Name: | ethyl 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-(4-methylphenyl)thiophene-2-carboxylate |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C21 H25 N O6 S2 |
| Smiles: | CCOC(c1c(c(cs1)c1ccc(C)cc1)S(N1CCC2(CC1)OCCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.805 |
| logD: | 3.805 |
| logSw: | -3.7932 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.887 |
| InChI Key: | HCGNYKQRDVQDGL-UHFFFAOYSA-N |