7-ethyl-4-(4-nitrophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-ethyl-4-(4-nitrophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-ethyl-4-(4-nitrophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0284 |
| Compound Name: | 7-ethyl-4-(4-nitrophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 376.44 |
| Molecular Formula: | C20 H16 N4 O2 S |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(cc1)[N+]([O-])=O)N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.1864 |
| logD: | 5.186 |
| logSw: | -5.1151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.875 |
| InChI Key: | QTAWNRZQRHIRJU-UHFFFAOYSA-N |