4-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-(2-phenylethyl)piperazine-2,6-dione
Chemical Structure Depiction of
4-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-(2-phenylethyl)piperazine-2,6-dione
4-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-(2-phenylethyl)piperazine-2,6-dione
Compound characteristics
| Compound ID: | C069-0961 |
| Compound Name: | 4-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-(2-phenylethyl)piperazine-2,6-dione |
| Molecular Weight: | 520.4 |
| Molecular Formula: | C22 H22 Br N3 O5 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(N1CC(N(CCc2ccccc2)C(C1)=O)=O)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6981 |
| logD: | 1.6981 |
| logSw: | -2.4176 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.735 |
| InChI Key: | XHRSWUZEDIKGFB-UHFFFAOYSA-N |