(azepan-1-yl)[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3-methyl-1-benzofuran-2-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3-methyl-1-benzofuran-2-yl]methanone
(azepan-1-yl)[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3-methyl-1-benzofuran-2-yl]methanone
Compound characteristics
| Compound ID: | C153-0324 |
| Compound Name: | (azepan-1-yl)[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3-methyl-1-benzofuran-2-yl]methanone |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C23 H30 N2 O6 S |
| Smiles: | Cc1c2cc(ccc2oc1C(N1CCCCCC1)=O)S(N1CCC2(CC1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5175 |
| logD: | 3.5175 |
| logSw: | -3.8335 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.891 |
| InChI Key: | NXPSJFMLPHGOBF-UHFFFAOYSA-N |