ethyl 6-bromo-4-{[dimethyl(~15~N)amino](~13~C)methyl}-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 6-bromo-4-{[dimethyl(~15~N)amino](~13~C)methyl}-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
ethyl 6-bromo-4-{[dimethyl(~15~N)amino](~13~C)methyl}-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H027-0228C |
| Compound Name: | ethyl 6-bromo-4-{[dimethyl(~15~N)amino](~13~C)methyl}-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 515.88 |
| Molecular Formula: | C22 H25 Br N2 O3 S |
| Salt: | HCl |
| Smiles: | CCOC(c1c2c([13C][15N](C)C)c(c(cc2n(C)c1CSc1ccccc1)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6196 |
| logD: | 3.1563 |
| logSw: | -4.6292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.88 |
| InChI Key: | KCFYEAOKVJSACF-CGUJMSNKSA-N |