ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate--hydrogen bromide (1/1)
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate--hydrogen bromide (1/1)
ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3772-9705 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate--hydrogen bromide (1/1) |
| Molecular Weight: | 509.21 |
| Molecular Formula: | C16 H18 Br N3 O4 S |
| Salt: | HBr |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSC(N)=N)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1654 |
| logD: | -0.5297 |
| logSw: | -2.5646 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.393 |
| InChI Key: | WVVNFQKEGWCRFU-UHFFFAOYSA-N |