ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-phenyl-1H-indole-3-carboxylate--hydrogen bromide (1/1)
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-phenyl-1H-indole-3-carboxylate--hydrogen bromide (1/1)
ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-phenyl-1H-indole-3-carboxylate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 6526-0868 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-phenyl-1H-indole-3-carboxylate--hydrogen bromide (1/1) |
| Molecular Weight: | 571.29 |
| Molecular Formula: | C21 H20 Br N3 O4 S |
| Salt: | HBr |
| Smiles: | CCOC(c1c2cc(c(cc2n(c2ccccc2)c1CSC(N)=N)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6165 |
| logD: | 2.2194 |
| logSw: | -4.0932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.055 |
| InChI Key: | XEYANNMNRFTJKP-UHFFFAOYSA-N |