4-(4-chlorophenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-chlorophenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
4-(4-chlorophenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0096 |
| Compound Name: | 4-(4-chlorophenyl)-7-ethyl-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 365.88 |
| Molecular Formula: | C20 H16 Cl N3 S |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(cc1)[Cl])N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.8555 |
| logD: | 5.8551 |
| logSw: | -6.2047 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.493 |
| InChI Key: | OJDHTCJLINEZAX-UHFFFAOYSA-N |