N-({3-chloro-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-({3-chloro-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
N-({3-chloro-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-05021 |
| Compound Name: | N-({3-chloro-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 406.33 |
| Molecular Formula: | C15 H20 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cc(c(c(c1)[Cl])OCC=C)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0945 |
| logD: | -1.8319 |
| logSw: | -3.0745 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.41 |
| InChI Key: | SFDBLAUORMGMKT-UHFFFAOYSA-N |