3-{[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one
3-{[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | G851-0700 |
| Compound Name: | 3-{[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 365.35 |
| Molecular Formula: | C18 H15 N5 O4 |
| Smiles: | COc1cc(cc(c1)OC)c1nc(CN2C(c3ccccc3N=N2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.9588 |
| logD: | 2.9588 |
| logSw: | -3.5312 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.688 |
| InChI Key: | MNNYMVUVLHSUQD-UHFFFAOYSA-N |