N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0031 |
| Compound Name: | N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3-phenylprop-2-yn-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 309.82 |
| Molecular Formula: | C13 H15 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)CC#Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.574 |
| logD: | 1.0333 |
| logSw: | -1.6738 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.031 |
| InChI Key: | VXJAYEGPALIBPV-UHFFFAOYSA-N |