N-{[5-(4-bromophenyl)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-(4-bromophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D272-0667 |
| Compound Name: | N-{[5-(4-bromophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 444.78 |
| Molecular Formula: | C16 H18 Br N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccc(c2ccc(cc2)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.1636 |
| logD: | 2.046 |
| logSw: | -3.1878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.759 |
| InChI Key: | HKOSBANQQFOLGD-UHFFFAOYSA-N |