4-[3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)propanoyl]-1-(2-phenylethyl)piperazine-2,6-dione
Chemical Structure Depiction of
4-[3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)propanoyl]-1-(2-phenylethyl)piperazine-2,6-dione
4-[3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)propanoyl]-1-(2-phenylethyl)piperazine-2,6-dione
Compound characteristics
| Compound ID: | C137-0193 |
| Compound Name: | 4-[3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)propanoyl]-1-(2-phenylethyl)piperazine-2,6-dione |
| Molecular Weight: | 576.47 |
| Molecular Formula: | C25 H26 Br N3 O6 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(CCC(N1CC(N(CCc2ccccc2)C(C1)=O)=O)=O)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1098 |
| logD: | 1.1098 |
| logSw: | -2.3048 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.181 |
| InChI Key: | KDSPNIYCMMKYKC-UHFFFAOYSA-N |