2-{5-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitro-1H-1,2,4-triazol-1-yl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{5-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitro-1H-1,2,4-triazol-1-yl}-1-(morpholin-4-yl)ethan-1-one
2-{5-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitro-1H-1,2,4-triazol-1-yl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-7679 |
| Compound Name: | 2-{5-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitro-1H-1,2,4-triazol-1-yl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 377.31 |
| Molecular Formula: | C15 H15 N5 O7 |
| Smiles: | C1COCCN1C(Cn1c(nc(n1)[N+]([O-])=O)Oc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3889 |
| logD: | 0.3889 |
| logSw: | -1.8958 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 104.798 |
| InChI Key: | HRJUVMRDQVFKHM-UHFFFAOYSA-N |