4-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
4-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0195 |
| Compound Name: | 4-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C25 H24 F N3 O2 |
| Smiles: | CCCCOc1ccc(cc1)C1N=C(c2ccc(cc2)F)Nc2ccc(cc2N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.3333 |
| logD: | 6.3327 |
| logSw: | -5.5413 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.437 |
| InChI Key: | FBWHJQMXMLAOAU-UHFFFAOYSA-N |