5-[(methoxycarbonyl)imino]-3-(4-methylphenyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Chemical Structure Depiction of
5-[(methoxycarbonyl)imino]-3-(4-methylphenyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
5-[(methoxycarbonyl)imino]-3-(4-methylphenyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Compound characteristics
| Compound ID: | 8015-1471 |
| Compound Name: | 5-[(methoxycarbonyl)imino]-3-(4-methylphenyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide |
| Molecular Weight: | 233.22 |
| Molecular Formula: | C11 H11 N3 O3 |
| Smiles: | Cc1ccc(cc1)[N+]1[C-]\C(=N/C(=O)OC)ON=1 |
| Stereo: | ACHIRAL |
| logP: | 1.4008 |
| logD: | 1.4007 |
| logSw: | -1.7843 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.404 |
| InChI Key: | SKJCULCINIRVDO-UHFFFAOYSA-N |