7-ethyl-2-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-ethyl-2-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine
7-ethyl-2-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0303 |
| Compound Name: | 7-ethyl-2-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C21 H18 F N3 O |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(C)o1)N=C(c1ccc(cc1)F)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.1935 |
| logD: | 5.1912 |
| logSw: | -5.1082 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.568 |
| InChI Key: | XMSMWEJHDNKDHU-UHFFFAOYSA-N |