4-(4-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
4-(4-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0183 |
| Compound Name: | 4-(4-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 379.82 |
| Molecular Formula: | C21 H15 Cl F N3 O |
| Smiles: | COc1ccc2c(c1)N=C(c1ccc(cc1)[Cl])N=C(c1ccc(cc1)F)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.4957 |
| logD: | 5.4953 |
| logSw: | -6.1813 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.019 |
| InChI Key: | ZCJNJIAATXTWGV-UHFFFAOYSA-N |