ethyl {[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitrophenyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitrophenyl]sulfanyl}acetate
ethyl {[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitrophenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K781-2472 |
| Compound Name: | ethyl {[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitrophenyl]sulfanyl}acetate |
| Molecular Weight: | 410.44 |
| Molecular Formula: | C18 H22 N2 O7 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7107 |
| logD: | 1.7107 |
| logSw: | -2.3652 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.563 |
| InChI Key: | QZWDWVGQJUJYRK-UHFFFAOYSA-N |