4-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3179 |
| Compound Name: | 4-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 525.5 |
| Molecular Formula: | C23 H22 F3 N3 O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4792 |
| logD: | 3.478 |
| logSw: | -4.0157 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.27 |
| InChI Key: | ZQFBNISDGXELOP-UHFFFAOYSA-N |