2-(4-chlorophenyl)-4-(4-ethoxyphenyl)-7-ethyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-(4-ethoxyphenyl)-7-ethyl-1H-1,3,5-benzotriazepine
2-(4-chlorophenyl)-4-(4-ethoxyphenyl)-7-ethyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0112 |
| Compound Name: | 2-(4-chlorophenyl)-4-(4-ethoxyphenyl)-7-ethyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 403.91 |
| Molecular Formula: | C24 H22 Cl N3 O |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(cc1)OCC)N=C(c1ccc(cc1)[Cl])N2 |
| Stereo: | ACHIRAL |
| logP: | 6.4535 |
| logD: | 6.4507 |
| logSw: | -6.5334 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.599 |
| InChI Key: | PQWYBGKEASGAFO-UHFFFAOYSA-N |