1-[1,1-dichloro-3-nitro-3-(1,3-oxazolidin-2-ylidene)prop-1-en-2-yl]azepane
Chemical Structure Depiction of
1-[1,1-dichloro-3-nitro-3-(1,3-oxazolidin-2-ylidene)prop-1-en-2-yl]azepane
1-[1,1-dichloro-3-nitro-3-(1,3-oxazolidin-2-ylidene)prop-1-en-2-yl]azepane
Compound characteristics
| Compound ID: | 4872-0676 |
| Compound Name: | 1-[1,1-dichloro-3-nitro-3-(1,3-oxazolidin-2-ylidene)prop-1-en-2-yl]azepane |
| Molecular Weight: | 322.19 |
| Molecular Formula: | C12 H17 Cl2 N3 O3 |
| Smiles: | C1CCCN(CC1)C(/C(=C1/NCCO1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0879 |
| logD: | 3.0804 |
| logSw: | -3.5393 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.959 |
| InChI Key: | WXVCVZVFZIUHJH-UHFFFAOYSA-N |