(3-chlorophenyl)[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(3-chlorophenyl)[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
(3-chlorophenyl)[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D331-0029 |
| Compound Name: | (3-chlorophenyl)[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 392.84 |
| Molecular Formula: | C21 H17 Cl N4 O2 |
| Smiles: | Cc1ccc(CNc2nc(c3ccco3)nn2C(c2cccc(c2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4385 |
| logD: | 4.4385 |
| logSw: | -4.5526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.806 |
| InChI Key: | KLMNCYOWQJOBSB-UHFFFAOYSA-N |