7-chloro-4-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-chloro-4-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
7-chloro-4-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0068 |
| Compound Name: | 7-chloro-4-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 399.83 |
| Molecular Formula: | C20 H18 Cl N3 O4 |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(CN2C(COc3cc(ccc23)[Cl])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.627 |
| logD: | 4.627 |
| logSw: | -4.7722 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.214 |
| InChI Key: | VVHHTRCYNZANPL-UHFFFAOYSA-N |