3-[{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}(2-methylpropyl)amino]-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-[{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}(2-methylpropyl)amino]-2-hydroxypropyl butanoate
3-[{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}(2-methylpropyl)amino]-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V028-4608 |
| Compound Name: | 3-[{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}(2-methylpropyl)amino]-2-hydroxypropyl butanoate |
| Molecular Weight: | 468.39 |
| Molecular Formula: | C21 H30 Br N3 O4 |
| Smiles: | CCCC(=O)OCC(CN(CCc1nc(c2ccc(cc2)[Br])no1)CC(C)C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2114 |
| logD: | 3.8681 |
| logSw: | -5.0061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.697 |
| InChI Key: | ZIGMDQCPUNKISC-SFHVURJKSA-N |