2-(4-fluorophenyl)-4-(4-methoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0198 |
| Compound Name: | 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C22 H18 F N3 O |
| Smiles: | Cc1ccc2c(c1)N=C(c1ccc(cc1)OC)N=C(c1ccc(cc1)F)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.0274 |
| logD: | 5.0245 |
| logSw: | -4.6729 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.019 |
| InChI Key: | YBUOOSXTZIPBBR-UHFFFAOYSA-N |