N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{N-methyl[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{N-methyl[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{N-methyl[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L080-0717 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{N-methyl[3-(trifluoromethyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 491.43 |
| Molecular Formula: | C22 H20 F3 N5 O5 |
| Smiles: | CN(CCc1nc(C(NCc2ccc3c(c2)OCO3)=O)on1)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4283 |
| logD: | 3.4282 |
| logSw: | -3.8114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.656 |
| InChI Key: | BDCKOFDZZVKBHY-UHFFFAOYSA-N |