[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl](2-nitrophenyl)methanone
Chemical Structure Depiction of
[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl](2-nitrophenyl)methanone
[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl](2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D331-0027 |
| Compound Name: | [3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl](2-nitrophenyl)methanone |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H17 N5 O4 |
| Smiles: | Cc1ccc(CNc2nc(c3ccco3)nn2C(c2ccccc2[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3039 |
| logD: | 3.3039 |
| logSw: | -3.9433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.886 |
| InChI Key: | TYDKUHXDKHTYLN-UHFFFAOYSA-N |