7-chloro-4-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-chloro-4-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
7-chloro-4-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0062 |
| Compound Name: | 7-chloro-4-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 342.74 |
| Molecular Formula: | C16 H11 Cl N4 O3 |
| Smiles: | C(c1nc(c2ccncc2)no1)N1C(COc2cc(ccc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7114 |
| logD: | 2.7113 |
| logSw: | -3.4512 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.839 |
| InChI Key: | NVLKFEHGWZYQFL-UHFFFAOYSA-N |