5-(4-methoxyphenyl)-2-phenyl-3H-1,3,4-benzotriazepine
Chemical Structure Depiction of
5-(4-methoxyphenyl)-2-phenyl-3H-1,3,4-benzotriazepine
5-(4-methoxyphenyl)-2-phenyl-3H-1,3,4-benzotriazepine
Compound characteristics
| Compound ID: | 6220-0092 |
| Compound Name: | 5-(4-methoxyphenyl)-2-phenyl-3H-1,3,4-benzotriazepine |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C21 H17 N3 O |
| Smiles: | COc1ccc(cc1)C1c2ccccc2N=C(c2ccccc2)NN=1 |
| Stereo: | ACHIRAL |
| logP: | 4.4171 |
| logD: | 3.8835 |
| logSw: | -4.3763 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.486 |
| InChI Key: | PYNNYOQJFUANST-UHFFFAOYSA-N |