N-(4-chloro-2-fluorophenyl)-4-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
N-(4-chloro-2-fluorophenyl)-4-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3594 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-3-nitrobenzamide |
| Molecular Weight: | 509.94 |
| Molecular Formula: | C22 H21 Cl F N3 O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5855 |
| logD: | 2.6404 |
| logSw: | -4.1957 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.27 |
| InChI Key: | LHFXUSGBZKNCAQ-UHFFFAOYSA-N |