6-bromo-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
6-bromo-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one
6-bromo-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | 8019-5497 |
| Compound Name: | 6-bromo-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 350.13 |
| Molecular Formula: | C12 H8 Br N5 O3 |
| Smiles: | Cc1c(C(CN2C(c3cc(ccc3N=N2)[Br])=O)=O)non1 |
| Stereo: | ACHIRAL |
| logP: | 2.7355 |
| logD: | 2.7355 |
| logSw: | -3.2633 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.145 |
| InChI Key: | DOOUZSJDNNTEBB-UHFFFAOYSA-N |