4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-chloro-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}-6-chloro-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0113 |
| Compound Name: | 4-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 385.76 |
| Molecular Formula: | C18 H12 Cl N3 O5 |
| Smiles: | C(c1nc(c2ccc3c(c2)OCO3)no1)N1C(COc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5793 |
| logD: | 3.5793 |
| logSw: | -3.9613 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.527 |
| InChI Key: | XNJXGAVPVNZEDM-UHFFFAOYSA-N |