N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D215-0178 |
| Compound Name: | N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 492.82 |
| Molecular Formula: | C20 H18 Br N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccc(c2ccc(cc2)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5906 |
| logD: | 3.1345 |
| logSw: | -4.5515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.338 |
| InChI Key: | MPKOXFXDJKNRDT-UHFFFAOYSA-N |