N-butyl-N'-(2,4-difluorophenyl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}urea
Chemical Structure Depiction of
N-butyl-N'-(2,4-difluorophenyl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}urea
N-butyl-N'-(2,4-difluorophenyl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}urea
Compound characteristics
| Compound ID: | V027-2178 |
| Compound Name: | N-butyl-N'-(2,4-difluorophenyl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}urea |
| Molecular Weight: | 445.42 |
| Molecular Formula: | C21 H21 F2 N5 O4 |
| Salt: | not_available |
| Smiles: | CCCCN(CCc1nc(c2cccc(c2)[N+]([O-])=O)no1)C(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3561 |
| logD: | 5.3555 |
| logSw: | -5.2849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.254 |
| InChI Key: | UGWWINDLJHMCOA-UHFFFAOYSA-N |