6-methyl-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-methyl-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0249 |
| Compound Name: | 6-methyl-4-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H21 N3 O6 |
| Smiles: | Cc1ccc2c(c1)N(Cc1nc(c3cc(c(c(c3)OC)OC)OC)no1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0164 |
| logD: | 3.0164 |
| logSw: | -3.1523 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.389 |
| InChI Key: | BMMICFTTZOHYRF-UHFFFAOYSA-N |