4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-fluorobenzoyl]-1-(2-phenylethyl)piperazine-2,6-dione
Chemical Structure Depiction of
4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-fluorobenzoyl]-1-(2-phenylethyl)piperazine-2,6-dione
4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-fluorobenzoyl]-1-(2-phenylethyl)piperazine-2,6-dione
Compound characteristics
| Compound ID: | K781-3397 |
| Compound Name: | 4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-fluorobenzoyl]-1-(2-phenylethyl)piperazine-2,6-dione |
| Molecular Weight: | 545.59 |
| Molecular Formula: | C26 H28 F N3 O7 S |
| Smiles: | C(CN1C(CN(CC1=O)C(c1cc(ccc1F)S(N1CCC2(CC1)OCCO2)(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3879 |
| logD: | 1.3879 |
| logSw: | -2.5365 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.402 |
| InChI Key: | ZFMHTIJPFMLOGR-UHFFFAOYSA-N |