7-chloro-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-chloro-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
7-chloro-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0048 |
| Compound Name: | 7-chloro-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 405.88 |
| Molecular Formula: | C23 H20 Cl N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1N=C(c2ccc(cc2)OC)Nc2ccc(cc2N=1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4919 |
| logD: | 5.4914 |
| logSw: | -6.0581 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.143 |
| InChI Key: | BXPOGANIZRWKLC-UHFFFAOYSA-N |