3-(4-chlorophenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one
3-(4-chlorophenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one
Compound characteristics
| Compound ID: | 8018-7061 |
| Compound Name: | 3-(4-chlorophenyl)-3a,7,8,8a-tetrahydro-5,8-epoxyoxepino[4,5-d][1,2]oxazol-4(5H)-one |
| Molecular Weight: | 279.68 |
| Molecular Formula: | C13 H10 Cl N O4 |
| Smiles: | C1C2C3C(C(c4ccc(cc4)[Cl])=NO3)C(C(O1)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0458 |
| logD: | 2.0457 |
| logSw: | -2.7314 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.727 |
| InChI Key: | BWOGNRRIYDTYOH-UHFFFAOYSA-N |