2-(4-bromophenyl)-7-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-bromophenyl)-7-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
2-(4-bromophenyl)-7-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0129 |
| Compound Name: | 2-(4-bromophenyl)-7-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 450.33 |
| Molecular Formula: | C23 H20 Br N3 O2 |
| Smiles: | CCOc1ccc2c(c1)N=C(c1ccc(cc1)OC)N=C(c1ccc(cc1)[Br])N2 |
| Stereo: | ACHIRAL |
| logP: | 6.0756 |
| logD: | 6.0752 |
| logSw: | -5.5787 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.143 |
| InChI Key: | WPXNWHZRMSZURP-UHFFFAOYSA-N |