3-phenyl-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}prop-2-en-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-phenyl-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}prop-2-en-1-amine--hydrogen chloride (1/1)
3-phenyl-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}prop-2-en-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D215-0039 |
| Compound Name: | 3-phenyl-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}prop-2-en-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 373.91 |
| Molecular Formula: | C18 H19 N5 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1c1ccccc1)C/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2938 |
| logD: | 1.6889 |
| logSw: | -3.3592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.609 |
| InChI Key: | HMUNARJHOFUDAM-JXMROGBWSA-N |