4-(4-chlorophenyl)-7-ethoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-chlorophenyl)-7-ethoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
4-(4-chlorophenyl)-7-ethoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0212 |
| Compound Name: | 4-(4-chlorophenyl)-7-ethoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 381.88 |
| Molecular Formula: | C20 H16 Cl N3 O S |
| Smiles: | CCOc1ccc2c(c1)N=C(c1ccc(cc1)[Cl])N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.625 |
| logD: | 5.6249 |
| logSw: | -6.0648 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.617 |
| InChI Key: | XSHRIXDZZXKHRY-UHFFFAOYSA-N |