3-(4-chlorophenyl)-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}prop-2-en-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}prop-2-en-1-amine--hydrogen chloride (1/1)
3-(4-chlorophenyl)-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}prop-2-en-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D660-0353 |
| Compound Name: | 3-(4-chlorophenyl)-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}prop-2-en-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 408.35 |
| Molecular Formula: | C18 H18 Cl N5 S |
| Salt: | HCl |
| Smiles: | C(CSc1nnnn1c1ccccc1)NC/C=C/c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8842 |
| logD: | 2.2794 |
| logSw: | -4.741 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.609 |
| InChI Key: | DNTXXAVHYXNHFD-SNAWJCMRSA-N |