2-(4-tert-butylphenyl)-7-methoxy-4-phenyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-7-methoxy-4-phenyl-1H-1,3,5-benzotriazepine
2-(4-tert-butylphenyl)-7-methoxy-4-phenyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0157 |
| Compound Name: | 2-(4-tert-butylphenyl)-7-methoxy-4-phenyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C25 H25 N3 O |
| Smiles: | CC(C)(C)c1ccc(cc1)C1Nc2ccc(cc2N=C(c2ccccc2)N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.5613 |
| logD: | 6.5564 |
| logSw: | -5.8734 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.019 |
| InChI Key: | ZOEZAHCASSDMAG-UHFFFAOYSA-N |