ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]piperazine-1-carboxylate
ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K786-0794 |
| Compound Name: | ethyl 4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3-methyl-1-benzofuran-2-carbonyl]piperazine-1-carboxylate |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C24 H31 N3 O8 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1c(C)c2cc(ccc2o1)S(N1CCC2(CC1)OCCO2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5593 |
| logD: | 2.5593 |
| logSw: | -2.7458 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.34 |
| InChI Key: | DHPFIWYOCMCSIN-UHFFFAOYSA-N |