[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl](3-nitrophenyl)methanone
[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D331-0486 |
| Compound Name: | [3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Smiles: | CC(C)c1ccc(CNc2nc(c3ccco3)nn2C(c2cccc(c2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6364 |
| logD: | 4.6364 |
| logSw: | -4.427 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.187 |
| InChI Key: | AVCALHKHYZOHBY-UHFFFAOYSA-N |