N-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
Chemical Structure Depiction of
N-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
N-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
Compound characteristics
| Compound ID: | D272-0683 |
| Compound Name: | N-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine |
| Molecular Weight: | 418.32 |
| Molecular Formula: | C16 H17 Cl F N5 O S |
| Salt: | HCl |
| Smiles: | [H]N(CCCSc1nnnn1C)Cc1ccc(c2ccc(c(c2)[Cl])F)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.7744 |
| logD: | 1.6568 |
| logSw: | -3.6533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.759 |
| InChI Key: | MCGNNLFFEMTVCL-UHFFFAOYSA-N |