7-ethoxy-2-(4-methoxyphenyl)-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-ethoxy-2-(4-methoxyphenyl)-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
7-ethoxy-2-(4-methoxyphenyl)-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0239 |
| Compound Name: | 7-ethoxy-2-(4-methoxyphenyl)-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C23 H20 N4 O4 |
| Smiles: | CCOc1ccc2c(c1)N=C(c1ccc(cc1)[N+]([O-])=O)N=C(c1ccc(cc1)OC)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.1674 |
| logD: | 5.1669 |
| logSw: | -5.0872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.524 |
| InChI Key: | PWWVGRJVEWZUKV-UHFFFAOYSA-N |