methyl 4-[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
methyl 4-[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | 8018-0135 |
| Compound Name: | methyl 4-[({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate |
| Molecular Weight: | 448.27 |
| Molecular Formula: | C18 H18 Br N5 O4 |
| Smiles: | Cc1c(c(C)n(Cc2nc(C(NCc3ccc(cc3)C(=O)OC)=O)on2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0423 |
| logD: | 2.0423 |
| logSw: | -2.5895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.047 |
| InChI Key: | LNGMNKRHRPHQHV-UHFFFAOYSA-N |