2-[5-(4-acetylphenoxy)-3-nitro-1H-1,2,4-triazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-[5-(4-acetylphenoxy)-3-nitro-1H-1,2,4-triazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
2-[5-(4-acetylphenoxy)-3-nitro-1H-1,2,4-triazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-5548 |
| Compound Name: | 2-[5-(4-acetylphenoxy)-3-nitro-1H-1,2,4-triazol-1-yl]-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 375.34 |
| Molecular Formula: | C16 H17 N5 O6 |
| Smiles: | CC(c1ccc(cc1)Oc1nc(nn1CC(N1CCOCC1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2812 |
| logD: | 0.2812 |
| logSw: | -1.6688 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.509 |
| InChI Key: | RBIJAHMBFAUOLC-UHFFFAOYSA-N |