7-fluoro-2-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-fluoro-2-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine
7-fluoro-2-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0122 |
| Compound Name: | 7-fluoro-2-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C22 H18 F N3 O |
| Smiles: | Cc1ccc(cc1)C1N=C(c2ccc(cc2)OC)Nc2ccc(cc2N=1)F |
| Stereo: | ACHIRAL |
| logP: | 5.0722 |
| logD: | 5.0695 |
| logSw: | -4.78 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.019 |
| InChI Key: | JZBULWDZAFSTGU-UHFFFAOYSA-N |