N-{[5-(3-chloro-4-methoxyphenyl)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-methoxyphenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0290 |
| Compound Name: | N-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 478.4 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)Cc1ccc(c2ccc(c(c2)[Cl])OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9819 |
| logD: | 2.5258 |
| logSw: | -4.4525 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.968 |
| InChI Key: | WDJQQLHGWXIXPY-UHFFFAOYSA-N |