ethyl 6-bromo-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
ethyl 6-bromo-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 5926-0009 |
| Compound Name: | ethyl 6-bromo-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate |
| Molecular Weight: | 572.52 |
| Molecular Formula: | C27 H30 Br N3 O4 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1ccccc1)[Br])OCC(Cn1c(C)cc(C)n1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8739 |
| logD: | 4.8739 |
| logSw: | -4.5892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.454 |
| InChI Key: | ZOMHJNPEKHERGF-IBGZPJMESA-N |