5-bromo-7-methyl-1-{[4-(pentyloxy)phenyl]methyl}-1H-indole-2,3-dione
Chemical Structure Depiction of
5-bromo-7-methyl-1-{[4-(pentyloxy)phenyl]methyl}-1H-indole-2,3-dione
5-bromo-7-methyl-1-{[4-(pentyloxy)phenyl]methyl}-1H-indole-2,3-dione
Compound characteristics
| Compound ID: | D011-1126 |
| Compound Name: | 5-bromo-7-methyl-1-{[4-(pentyloxy)phenyl]methyl}-1H-indole-2,3-dione |
| Molecular Weight: | 416.31 |
| Molecular Formula: | C21 H22 Br N O3 |
| Smiles: | CCCCCOc1ccc(CN2C(C(c3cc(cc(C)c23)[Br])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4755 |
| logD: | 6.4755 |
| logSw: | -5.5043 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.429 |
| InChI Key: | HUQBAUVYXUXOLV-UHFFFAOYSA-N |