2-[5-(2-methoxyphenoxy)-3-nitro-1H-1,2,4-triazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-[5-(2-methoxyphenoxy)-3-nitro-1H-1,2,4-triazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
2-[5-(2-methoxyphenoxy)-3-nitro-1H-1,2,4-triazol-1-yl]-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-2613 |
| Compound Name: | 2-[5-(2-methoxyphenoxy)-3-nitro-1H-1,2,4-triazol-1-yl]-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 363.33 |
| Molecular Formula: | C15 H17 N5 O6 |
| Smiles: | COc1ccccc1Oc1nc(nn1CC(N1CCOCC1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6085 |
| logD: | 0.6085 |
| logSw: | -1.6616 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.399 |
| InChI Key: | CTSFHSANSBEXGC-UHFFFAOYSA-N |