[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone
Chemical Structure Depiction of
[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone
[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D331-0311 |
| Compound Name: | [3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H17 N5 O5 |
| Smiles: | COc1ccccc1CNc1nc(c2ccco2)nn1C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5833 |
| logD: | 3.5833 |
| logSw: | -3.7276 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.817 |
| InChI Key: | SSTDKIQQGGQIOP-UHFFFAOYSA-N |