N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine
Chemical Structure Depiction of
N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine
N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine
Compound characteristics
| Compound ID: | D665-1200 |
| Compound Name: | N-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine |
| Molecular Weight: | 288.73 |
| Molecular Formula: | C14 H13 Cl N4 O |
| Smiles: | Cc1c(cccc1[Cl])c1ccc(CNc2nc[nH]n2)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.341 |
| logD: | 3.3389 |
| logSw: | -3.793 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.88 |
| InChI Key: | JXYQAQQSBULNPF-UHFFFAOYSA-N |