N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0483 |
| Compound Name: | N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 476.43 |
| Molecular Formula: | C22 H22 Cl N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1c1ccccc1)Cc1ccc(c2cccc(c2C)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8667 |
| logD: | 3.7491 |
| logSw: | -4.8824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.338 |
| InChI Key: | BFWQCRNTJNJMSO-UHFFFAOYSA-N |