2-(4-chlorophenyl)-7-ethyl-4-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-chlorophenyl)-7-ethyl-4-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
2-(4-chlorophenyl)-7-ethyl-4-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0169 |
| Compound Name: | 2-(4-chlorophenyl)-7-ethyl-4-(pyridin-4-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 360.84 |
| Molecular Formula: | C21 H17 Cl N4 |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccncc1)N=C(c1ccc(cc1)[Cl])N2 |
| Stereo: | ACHIRAL |
| logP: | 4.8355 |
| logD: | 4.8288 |
| logSw: | -4.9065 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.903 |
| InChI Key: | MUIHNVZCGUIONT-UHFFFAOYSA-N |