2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0180 |
| Compound Name: | 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C27 H29 N3 O2 |
| Smiles: | Cc1ccc2c(c1)N=C(c1ccc(c(c1)OC)OC)N=C(c1ccc(cc1)C(C)(C)C)N2 |
| Stereo: | ACHIRAL |
| logP: | 6.4088 |
| logD: | 6.3216 |
| logSw: | -5.7927 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.736 |
| InChI Key: | XULKTGDZUAAHSS-UHFFFAOYSA-N |