ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-(4-methoxyphenyl)-1H-indole-3-carboxylate--hydrogen bromide (1/1)
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-(4-methoxyphenyl)-1H-indole-3-carboxylate--hydrogen bromide (1/1)
ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-(4-methoxyphenyl)-1H-indole-3-carboxylate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | D090-0103 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-(4-methoxyphenyl)-1H-indole-3-carboxylate--hydrogen bromide (1/1) |
| Molecular Weight: | 601.31 |
| Molecular Formula: | C22 H22 Br N3 O5 S |
| Salt: | HBr |
| Smiles: | CCOC(c1c2cc(c(cc2n(c2ccc(cc2)OC)c1CSC(N)=N)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7204 |
| logD: | 2.3233 |
| logSw: | -4.3936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.599 |
| InChI Key: | PPKVFGKXFOWPSC-UHFFFAOYSA-N |