ethyl 1-benzyl-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1H-indole-3-carboxylate
ethyl 1-benzyl-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8009-3615 |
| Compound Name: | ethyl 1-benzyl-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1H-indole-3-carboxylate |
| Molecular Weight: | 511.42 |
| Molecular Formula: | C25 H27 Br N4 O3 |
| Smiles: | CCOC(c1c2cc(c(cc2n(Cc2ccccc2)c1CN1CCN(CC1)CC#N)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4643 |
| logD: | 3.3205 |
| logSw: | -3.532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.266 |
| InChI Key: | SHUKUMSOUYJFIY-UHFFFAOYSA-N |