4-(4-butoxyphenyl)-7-ethoxy-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-butoxyphenyl)-7-ethoxy-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
4-(4-butoxyphenyl)-7-ethoxy-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0255 |
| Compound Name: | 4-(4-butoxyphenyl)-7-ethoxy-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C25 H26 N4 O2 |
| Smiles: | CCCCOc1ccc(cc1)C1N=C(c2ccncc2)Nc2ccc(cc2N=1)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.4426 |
| logD: | 5.441 |
| logSw: | -5.2512 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.445 |
| InChI Key: | ZIWSHJGOEWDYEK-UHFFFAOYSA-N |