2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-fluoro-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-fluoro-1H-1,3,5-benzotriazepine
2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-fluoro-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0202 |
| Compound Name: | 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-fluoro-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C26 H26 F N3 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1Nc2ccc(cc2N=C(c2ccc(c(c2)OC)OC)N=1)F |
| Stereo: | ACHIRAL |
| logP: | 6.0594 |
| logD: | 6.0482 |
| logSw: | -5.7104 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.736 |
| InChI Key: | LZWMJFBQGQAXSB-UHFFFAOYSA-N |