N-{[5-(3-chloro-4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0682 |
| Compound Name: | N-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 430.35 |
| Molecular Formula: | C17 H20 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccc(c2ccc(c(c2)[Cl])OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.5549 |
| logD: | 1.4373 |
| logSw: | -3.5025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.389 |
| InChI Key: | YSKOORIGNGDTCZ-UHFFFAOYSA-N |