N-[(4-bromophenyl)methyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
N-[(4-bromophenyl)methyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M027-0613 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C19 H18 Br N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(CCc1nc(C(NCc2ccc(cc2)[Br])=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3541 |
| logD: | 3.354 |
| logSw: | -3.7201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.356 |
| InChI Key: | NKOGAYFBNNZRMP-UHFFFAOYSA-N |