4-(1,3-dibenzyl-1,3-diazinan-2-yl)-N,N-dimethyl-2-nitroaniline
Chemical Structure Depiction of
4-(1,3-dibenzyl-1,3-diazinan-2-yl)-N,N-dimethyl-2-nitroaniline
4-(1,3-dibenzyl-1,3-diazinan-2-yl)-N,N-dimethyl-2-nitroaniline
Compound characteristics
| Compound ID: | 8011-0858 |
| Compound Name: | 4-(1,3-dibenzyl-1,3-diazinan-2-yl)-N,N-dimethyl-2-nitroaniline |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C26 H30 N4 O2 |
| Smiles: | CN(C)c1ccc(cc1[N+]([O-])=O)C1N(CCCN1Cc1ccccc1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0001 |
| logD: | 4.9831 |
| logSw: | -4.7251 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.297 |
| InChI Key: | MNJHFOUCCMKMKT-UHFFFAOYSA-N |