3-butyl-5-[(methoxycarbonyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Chemical Structure Depiction of
3-butyl-5-[(methoxycarbonyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
3-butyl-5-[(methoxycarbonyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Compound characteristics
| Compound ID: | 8015-2255 |
| Compound Name: | 3-butyl-5-[(methoxycarbonyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide |
| Molecular Weight: | 199.21 |
| Molecular Formula: | C8 H13 N3 O3 |
| Smiles: | CCCC[N+]1[C-]\C(=N/C(=O)OC)ON=1 |
| Stereo: | ACHIRAL |
| logP: | 0.6804 |
| logD: | 0.6804 |
| logSw: | -0.4734 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.641 |
| InChI Key: | XYCFWFRRLXWCRJ-UHFFFAOYSA-N |