(adamantan-1-yl)[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]methanone
Chemical Structure Depiction of
(adamantan-1-yl)[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]methanone
(adamantan-1-yl)[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]methanone
Compound characteristics
| Compound ID: | 0934-1236 |
| Compound Name: | (adamantan-1-yl)[3-(3,5-dichloro-2,4,6-trimethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]methanone |
| Molecular Weight: | 511.45 |
| Molecular Formula: | C27 H28 Cl2 N4 O2 |
| Smiles: | Cc1c(C2=NON3N2c2ccccc2N3C(C23CC4CC(CC(C4)C3)C2)=O)c(C)c(c(C)c1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.5024 |
| logD: | 7.5024 |
| logSw: | -6.5613 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.108 |
| InChI Key: | ICNIEQFTNYBBBD-UHFFFAOYSA-N |