2-(1,3-dibenzyl-1,3-diazinan-2-yl)-4-nitrophenol
Chemical Structure Depiction of
2-(1,3-dibenzyl-1,3-diazinan-2-yl)-4-nitrophenol
2-(1,3-dibenzyl-1,3-diazinan-2-yl)-4-nitrophenol
Compound characteristics
| Compound ID: | 8011-8294 |
| Compound Name: | 2-(1,3-dibenzyl-1,3-diazinan-2-yl)-4-nitrophenol |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C24 H25 N3 O3 |
| Smiles: | C1CN(Cc2ccccc2)C(c2cc(ccc2O)[N+]([O-])=O)N(C1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7297 |
| logD: | 4.4993 |
| logSw: | -4.4437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.642 |
| InChI Key: | LYJQWKKEMHCPTI-UHFFFAOYSA-N |