1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]butan-1-one
Chemical Structure Depiction of
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]butan-1-one
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]butan-1-one
Compound characteristics
| Compound ID: | G214-4752 |
| Compound Name: | 1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]butan-1-one |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C27 H25 N3 O4 |
| Smiles: | CCC(C(N1CCOc2ccc(C)cc12)=O)Oc1ccccc1c1nnc(c2ccccc2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2508 |
| logD: | 5.2508 |
| logSw: | -5.0899 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.506 |
| InChI Key: | HOTWDUPQOSBRCW-QFIPXVFZSA-N |