N-{[5-(3-chloro-4-fluorophenyl)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-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D215-0194 |
| Compound Name: | N-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 466.36 |
| Molecular Formula: | C20 H17 Cl F N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccc(c2ccc(c(c2)[Cl])F)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2015 |
| logD: | 2.7453 |
| logSw: | -4.5594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.338 |
| InChI Key: | VWJOMEKJRGYKFC-UHFFFAOYSA-N |