N-{[5-(4-chlorophenyl)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-(4-chlorophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-{[5-(4-chlorophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0664 |
| Compound Name: | N-{[5-(4-chlorophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 400.33 |
| Molecular Formula: | C16 H18 Cl N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccc(c2ccc(cc2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 2.9244 |
| logD: | 1.8068 |
| logSw: | -3.7394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.759 |
| InChI Key: | JRMNAZYXGOONBL-UHFFFAOYSA-N |