N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-3-[(1-methyl-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-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D272-0679 |
Compound Name: | N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
Molecular Weight: | 414.35 |
Molecular Formula: | C17 H20 Cl N5 O S |
Salt: | HCl |
Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccc(c2cccc(c2C)[Cl])o1 |
Stereo: | ACHIRAL |
logP: | 3.2471 |
logD: | 2.1295 |
logSw: | -3.8154 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.759 |
InChI Key: | JRNXJAZZZGJTGC-UHFFFAOYSA-N |