N-(2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-3,5-dinitro-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-3,5-dinitro-N-(prop-2-en-1-yl)benzamide
N-(2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-3,5-dinitro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V018-5223 |
| Compound Name: | N-(2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-oxoethyl)-3,5-dinitro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 554.95 |
| Molecular Formula: | C25 H23 Cl N6 O7 |
| Smiles: | C=CCN(CC(N1CCCCC1c1nc(c2cccc(c2)[Cl])no1)=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7962 |
| logD: | 4.7962 |
| logSw: | -5.0293 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 130.683 |
| InChI Key: | IXMMVXCGMYBBCK-NRFANRHFSA-N |