(4-chlorophenyl)[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(4-chlorophenyl)[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
(4-chlorophenyl)[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D116-0089 |
| Compound Name: | (4-chlorophenyl)[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 408.84 |
| Molecular Formula: | C21 H17 Cl N4 O3 |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2C(c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0135 |
| logD: | 4.0135 |
| logSw: | -4.5798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.349 |
| InChI Key: | AYKPWSPINAIDQX-UHFFFAOYSA-N |