1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C755-0268 |
| Compound Name: | 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C13 H16 N2 O5 S2 |
| Smiles: | C1CN(CCC12OCCO2)C(CSc1ccsc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1633 |
| logD: | 1.1633 |
| logSw: | -2.1005 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.247 |
| InChI Key: | WABWUKMYAKYWLO-UHFFFAOYSA-N |