2-(3-nitro-1H-1,2,4-triazol-1-yl)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
Chemical Structure Depiction of
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
Compound characteristics
| Compound ID: | 8001-0591 |
| Compound Name: | 2-(3-nitro-1H-1,2,4-triazol-1-yl)-N'-(1-phenylbutan-2-ylidene)acetohydrazide |
| Molecular Weight: | 316.32 |
| Molecular Formula: | C14 H16 N6 O3 |
| Smiles: | CC\C(Cc1ccccc1)=N/NC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7402 |
| logD: | 1.7401 |
| logSw: | -2.2002 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.689 |
| InChI Key: | XIXOQXXZHRDPMA-FOWTUZBSSA-N |