7-ethoxy-2-(4-nitrophenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-ethoxy-2-(4-nitrophenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-ethoxy-2-(4-nitrophenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0293 |
| Compound Name: | 7-ethoxy-2-(4-nitrophenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | CCOc1ccc2c(c1)N=C(c1cccs1)N=C(c1ccc(cc1)[N+]([O-])=O)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.0219 |
| logD: | 5.0219 |
| logSw: | -4.6238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.999 |
| InChI Key: | FBHQUNVANPWYQI-UHFFFAOYSA-N |