3-(4-methoxyphenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one
3-(4-methoxyphenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one
Compound characteristics
| Compound ID: | 8018-6440 |
| Compound Name: | 3-(4-methoxyphenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C14 H13 N O5 |
| Smiles: | COc1ccc(cc1)C1C2C(C3COC(C2=O)O3)ON=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4334 |
| logD: | 1.4334 |
| logSw: | -1.7283 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.271 |
| InChI Key: | LEMKRLXDXXQHNC-UHFFFAOYSA-N |