N-{[5-(2,4-dichlorophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine
Chemical Structure Depiction of
N-{[5-(2,4-dichlorophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine
N-{[5-(2,4-dichlorophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine
Compound characteristics
| Compound ID: | D665-1199 |
| Compound Name: | N-{[5-(2,4-dichlorophenyl)furan-2-yl]methyl}-1H-1,2,4-triazol-3-amine |
| Molecular Weight: | 309.15 |
| Molecular Formula: | C13 H10 Cl2 N4 O |
| Smiles: | C(c1ccc(c2ccc(cc2[Cl])[Cl])o1)Nc1nc[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5053 |
| logD: | 3.5032 |
| logSw: | -4.0232 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.88 |
| InChI Key: | QKRXXPIWDGIQSY-UHFFFAOYSA-N |