7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | M338-0061 |
| Compound Name: | 7-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C18 H20 N4 O4 |
| Smiles: | CN1C(COc2cc(ccc12)c1nc(C(N2CCCCCC2)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2634 |
| logD: | 2.2634 |
| logSw: | -2.8122 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.762 |
| InChI Key: | VVTHOSWNQLHOAU-UHFFFAOYSA-N |