7-ethoxy-4-(4-nitrophenyl)-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-ethoxy-4-(4-nitrophenyl)-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
7-ethoxy-4-(4-nitrophenyl)-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0318 |
| Compound Name: | 7-ethoxy-4-(4-nitrophenyl)-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C21 H17 N5 O3 |
| Smiles: | CCOc1ccc2c(c1)N=C(c1ccc(cc1)[N+]([O-])=O)N=C(c1ccncc1)N2 |
| Stereo: | ACHIRAL |
| logP: | 3.936 |
| logD: | 3.9347 |
| logSw: | -3.8866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.409 |
| InChI Key: | HAGPMPNNSUFLDL-UHFFFAOYSA-N |