ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-3-carboxylate
ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8015-6339 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 477.36 |
| Molecular Formula: | C21 H25 Br N4 O4 |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CN1CCN(CC1)CC#N)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.699 |
| logD: | 1.4558 |
| logSw: | -1.8637 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.637 |
| InChI Key: | KNHANTNFXPHKIJ-UHFFFAOYSA-N |