6-tert-butyl-4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0287 |
| Compound Name: | 6-tert-butyl-4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(Cc1nc(c3ccc(c(c3)OC)OC)no1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3001 |
| logD: | 4.3001 |
| logSw: | -4.4893 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.672 |
| InChI Key: | MPYSHXAVWFFSSO-UHFFFAOYSA-N |