1-[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]ethan-1-one
1-[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]ethan-1-one
Compound characteristics
| Compound ID: | 2652-0624 |
| Compound Name: | 1-[3-(2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]ethan-1-one |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C18 H18 N4 O2 |
| Smiles: | CC(N1c2ccccc2N2C(c3c(C)cc(C)cc3C)=NON12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3096 |
| logD: | 3.3096 |
| logSw: | -3.6627 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.814 |
| InChI Key: | KZJLCYUCUBGIQT-UHFFFAOYSA-N |