N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M338-0392 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 422.4 |
| Molecular Formula: | C21 H18 N4 O6 |
| Smiles: | CCN1C(COc2cc(ccc12)c1nc(C(NCc2ccc3c(c2)OCO3)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5607 |
| logD: | 2.5607 |
| logSw: | -2.9718 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.271 |
| InChI Key: | ZPAJDNNNVXKHCC-UHFFFAOYSA-N |