4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-7-tert-butyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-7-tert-butyl-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-7-tert-butyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C200-8366 |
| Compound Name: | 4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-7-tert-butyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | CC(C)(C)c1ccc2c(c1)OCC(N2Cc1nc(c2ccc3c(c2)OCO3)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6805 |
| logD: | 4.6805 |
| logSw: | -4.5253 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.527 |
| InChI Key: | QPBXLKFRSSVWIP-UHFFFAOYSA-N |