4-{[3-(1-propyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(1-propyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(1-propyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | G944-0449 |
| Compound Name: | 4-{[3-(1-propyl-1H-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C20 H18 N6 O3 |
| Smiles: | CCCn1c2ccc(cc2nn1)c1nc(CN2C(COc3ccccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.9373 |
| logD: | 2.9373 |
| logSw: | -3.2848 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.087 |
| InChI Key: | ZHULWFOAHRBWTI-UHFFFAOYSA-N |