N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(propan-2-yl)benzamide
N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V030-2147 |
| Compound Name: | N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 459.3 |
| Molecular Formula: | C20 H19 Br N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)N(CCc1nc(c2ccc(cc2)[Br])no1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3458 |
| logD: | 5.3458 |
| logSw: | -5.4198 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.896 |
| InChI Key: | XWMVINKKSPSRPU-UHFFFAOYSA-N |