7-methoxy-4-[4-(2-methylpropoxy)phenyl]-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-methoxy-4-[4-(2-methylpropoxy)phenyl]-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
7-methoxy-4-[4-(2-methylpropoxy)phenyl]-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0286 |
| Compound Name: | 7-methoxy-4-[4-(2-methylpropoxy)phenyl]-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C24 H24 N4 O2 |
| Smiles: | CC(C)COc1ccc(cc1)C1N=C(c2ccncc2)Nc2ccc(cc2N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9051 |
| logD: | 4.9035 |
| logSw: | -4.3267 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.946 |
| InChI Key: | UEXURLZOFIEWIV-UHFFFAOYSA-N |