N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Chemical Structure Depiction of
N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine
Compound characteristics
| Compound ID: | D175-0096 |
| Compound Name: | N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-amine |
| Molecular Weight: | 400.33 |
| Molecular Formula: | C16 H18 Cl N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1ccc(c2cccc(c2C)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.0545 |
| logD: | 1.0483 |
| logSw: | -3.7105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.759 |
| InChI Key: | IGCOLWOZKVEWLM-UHFFFAOYSA-N |